REMARK FINAL VELOCITIES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 14.920 -23.990 4.463 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 5.770 -1.665 0.730 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 2.782 2.923 -13.759 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 24.318 -9.912 18.678 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 4.018 -19.412 -12.874 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 -1.927 4.112 -4.457 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 -36.972 8.455 1.037 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 3.576 2.835 -2.811 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 -12.277 -11.506 5.464 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 -1.607 -10.308 18.435 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 -1.446 0.019 4.653 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 0.852 5.156 2.201 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 -1.154 5.351 10.584 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 -0.689 -5.064 -12.533 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 4.591 -14.770 -30.499 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 -3.624 1.382 1.939 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 -6.498 3.491 2.472 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 -8.624 17.664 -15.704 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 4.531 -4.125 -13.234 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 7.249 -8.916 -4.766 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 -1.826 -3.318 -9.152 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 -1.810 -6.710 -1.689 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 1.492 -3.304 -9.041 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 -10.551 16.211 5.893 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 7.471 -0.681 4.246 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 -8.675 -4.804 22.621 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 -1.505 6.060 -8.905 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 -12.232 -11.439 5.900 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 -3.389 -1.479 3.793 1.00 0.00 SBOX O ATOM 30 P ADE A 9 -1.026 -0.259 3.815 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 7.989 4.654 6.401 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 7.461 5.150 -0.490 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 -1.183 -5.255 0.790 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 -0.079 -8.841 1.063 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 21.041 -9.657 0.840 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 -0.277 0.538 16.011 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 -2.183 -4.766 -1.958 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 9.660 23.222 2.538 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 -10.866 -1.688 9.148 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 -2.896 1.266 2.174 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 1.517 9.788 -1.008 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 1.635 -3.091 -9.349 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 -4.173 -7.494 8.192 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 -17.407 7.275 -6.177 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 1.711 2.195 1.458 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 9.831 0.856 -2.405 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 1.927 1.072 -2.530 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 -0.887 2.252 4.273 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 3.548 -0.648 10.612 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 20.612 0.270 -7.572 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 5.420 -3.734 -3.088 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 2.905 6.283 2.393 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 9.543 -0.965 3.098 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 -5.415 -2.594 5.429 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 5.033 -5.149 -7.793 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 7.780 -5.959 3.159 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 4.610 5.245 -11.750 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 -1.774 2.712 3.370 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 -12.985 -23.716 9.540 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 -6.348 10.802 0.185 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 20.754 -8.282 -5.098 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 -3.630 0.600 2.293 1.00 0.00 SBOX O ATOM 63 P ADE A 10 -3.516 -1.670 -2.119 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 -7.666 0.399 -0.777 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 2.857 -3.480 6.113 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 -3.995 1.748 2.815 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 -3.301 5.588 -3.139 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 -6.516 8.928 6.706 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 20.994 21.335 -0.138 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 9.779 -6.089 0.871 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 15.527 -9.896 -22.957 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 -3.834 -2.695 -2.166 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 -6.034 -0.351 0.834 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 3.732 -13.128 11.792 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 -1.825 -1.615 -7.084 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 -1.013 4.523 -2.589 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 -26.529 -5.791 9.807 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 -7.041 3.835 1.751 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 -3.522 5.471 -1.340 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 5.976 -2.232 -5.092 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 -1.017 -4.397 7.943 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 5.310 -13.294 19.590 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 -5.409 -19.377 26.036 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 -6.068 0.661 1.101 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 -6.131 -0.555 0.598 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 -1.717 9.190 -20.155 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 -0.102 8.404 -1.133 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 -5.219 -0.447 7.434 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 2.073 -2.716 4.540 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 0.758 -8.073 -2.312 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 -6.588 2.395 4.853 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 -4.709 2.038 -21.480 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 2.492 3.096 3.479 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 0.219 -1.506 12.685 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 -6.362 -8.258 -5.927 1.00 0.00 SBOX O ATOM 96 P GUA A 11 4.060 1.022 -6.404 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 6.898 -2.235 3.497 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 4.482 -1.321 -10.211 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 -2.205 -1.523 -0.243 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 -0.180 7.708 -0.291 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 1.615 2.077 -3.664 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 -5.358 -8.505 -3.349 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 -2.905 4.158 -0.563 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 -1.343 7.228 -4.972 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 -0.957 -0.049 0.317 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 -0.725 -9.245 -5.948 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 19.736 -21.520 4.495 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 -2.201 1.491 0.010 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 -3.377 -2.128 3.644 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 17.358 -19.272 -5.305 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 1.907 9.154 1.660 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 -1.199 2.339 2.082 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 -4.852 -1.164 -8.572 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 -3.519 4.571 -4.096 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 2.992 -0.887 1.964 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 -15.575 -28.611 16.064 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 2.604 -3.178 2.765 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 4.084 -0.098 -2.960 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 13.244 -2.422 -21.254 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 6.069 -1.977 15.179 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 -0.313 -6.736 6.170 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 -3.781 -2.645 -4.146 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 1.784 -1.039 -2.002 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 21.283 10.253 -1.879 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 1.005 0.391 0.969 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 6.685 44.632 34.789 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 0.190 4.201 -5.119 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 -7.402 -16.812 19.965 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 -0.493 -1.991 2.235 1.00 0.00 SBOX O ATOM 130 P ADE A 12 2.321 -1.463 4.405 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 -7.234 -0.865 1.398 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 3.536 -1.610 -1.429 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 -4.676 5.357 -3.803 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 2.970 -0.430 -7.309 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 4.435 0.691 -5.926 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 1.206 -19.631 -20.684 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 2.032 -1.787 2.714 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 -15.864 -7.119 4.930 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 0.636 1.259 -3.199 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 -3.822 -3.590 -0.434 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 -1.631 -13.292 5.570 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 -2.710 11.332 4.227 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 5.029 0.289 4.450 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 -9.830 11.297 15.640 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 -2.522 -5.836 -6.104 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 -6.190 0.467 4.428 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 5.765 -3.040 -2.211 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 -1.606 -3.580 3.900 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 -16.136 -5.603 19.366 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 0.301 -9.660 6.488 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 -4.659 3.613 5.473 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 -4.369 2.818 -0.280 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 -12.133 -36.633 13.368 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 0.731 -7.253 5.342 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 -0.717 -1.403 2.869 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 -0.512 -1.711 6.821 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 47.983 -0.317 8.099 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 -1.601 0.962 2.561 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 -15.474 -0.480 -19.391 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 2.568 4.597 4.328 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 1.086 17.972 4.719 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 -4.219 -8.124 7.807 1.00 0.00 SBOX O ATOM 163 P GUA A 13 1.914 -0.099 -0.915 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 0.266 -3.314 5.072 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 5.110 -6.404 6.897 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 -6.407 2.544 -2.925 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 -2.663 -1.277 2.434 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 20.708 18.282 -14.374 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 -3.771 -5.202 3.567 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 -0.030 -2.429 -4.311 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 -1.309 -9.618 -4.486 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 -0.990 0.142 3.854 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 -2.289 -5.334 5.050 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 -3.363 -0.431 -23.351 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 0.018 -0.709 8.355 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 -6.366 7.660 4.700 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 -4.510 6.978 5.727 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 1.123 -0.899 2.236 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 -3.058 2.417 6.154 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 -4.933 0.519 4.498 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 4.472 2.350 1.460 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 -12.662 -5.338 2.951 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 -8.466 -18.741 8.815 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 2.237 -1.945 5.087 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 0.045 6.677 2.225 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 -5.448 -2.843 28.900 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 4.932 0.595 -19.947 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 -6.083 2.734 0.433 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 2.122 -2.328 3.331 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 4.773 -0.335 -2.232 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 11.297 6.874 -2.282 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 2.600 2.742 -2.354 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 1.528 5.682 -6.223 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 -5.055 -6.973 -1.335 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 -18.233 24.611 1.489 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 0.387 -0.485 -3.736 1.00 0.00 SBOX O ATOM 197 P ADE A 14 -2.663 -0.772 3.313 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 -3.869 -6.816 -1.527 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 -5.671 4.004 0.735 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 1.852 -0.787 3.013 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 5.557 -6.666 -8.219 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 28.409 -2.325 17.997 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 -1.029 -6.939 -4.044 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 -5.273 2.048 -1.463 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 -4.049 -0.622 -1.129 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 1.163 0.769 4.658 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 0.393 1.178 -0.034 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 25.964 -30.720 -13.964 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 -4.164 -2.829 -1.028 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 -1.542 2.180 -3.007 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 -5.016 10.166 6.196 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 2.417 3.214 -0.073 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 -0.501 2.569 -3.450 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 -4.561 -8.404 -3.121 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 -3.051 -1.623 -5.140 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 -6.072 -13.787 -1.382 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 14.576 15.524 3.326 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 2.377 -7.523 7.968 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 2.896 -13.398 -9.741 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 -31.101 -13.820 11.983 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 -0.175 -0.620 -3.367 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 -6.740 3.307 2.261 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 -3.341 3.343 4.944 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 24.798 -20.337 14.991 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 -1.653 1.440 -7.295 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 8.286 -13.515 5.746 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 0.109 -3.506 2.983 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 7.317 -3.752 -15.344 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 3.094 0.507 -0.938 1.00 0.00 SBOX O ATOM 230 P GUA A 15 4.169 5.141 -3.094 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 -2.362 2.211 -2.427 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 -0.984 3.539 -1.450 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 -4.972 2.900 -9.717 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 -4.249 -8.609 0.683 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 -1.330 -2.793 1.230 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 10.801 0.696 0.054 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 2.090 7.152 -6.188 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 -12.227 11.827 26.571 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 0.072 -6.694 -5.272 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 0.592 8.000 1.385 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 8.197 8.780 4.086 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 -5.920 1.829 4.555 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 -3.856 1.228 7.930 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 12.843 -6.701 -16.906 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 -4.693 0.888 -1.017 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 -1.943 5.029 1.993 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 -0.392 -9.633 -1.647 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 -3.285 2.387 -1.311 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 3.717 1.840 -3.691 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 -9.371 24.880 10.891 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 0.372 6.350 -5.366 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 3.250 9.532 7.837 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 12.167 -15.759 -15.219 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 -15.661 16.729 31.421 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 -4.083 -0.778 4.652 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 -5.063 3.588 -3.834 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 -9.734 -5.686 0.987 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 -14.221 -8.170 12.105 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 1.305 3.731 -3.204 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 -1.044 14.207 12.794 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 2.379 0.100 1.746 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 -0.356 25.641 -8.766 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 5.211 -6.738 2.792 1.00 0.00 SBOX O ATOM 264 P GUA A 16 -3.451 1.535 2.326 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 -1.519 1.271 -9.786 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 -2.145 6.862 -3.063 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 -7.261 5.139 0.131 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 2.696 0.163 -7.288 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 -32.930 -19.369 -23.034 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 -15.371 -8.710 -14.871 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 0.881 -0.861 -2.870 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 -14.525 -5.719 -9.772 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 3.419 3.563 1.278 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 -4.801 0.086 0.257 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 -5.791 -10.113 2.638 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 -3.082 -1.214 -3.368 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 5.295 -0.319 1.571 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 15.719 6.182 -7.127 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 2.273 -3.417 -5.541 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 -8.339 9.427 -6.385 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 2.484 5.906 -0.737 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 -4.112 -2.339 -3.298 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 5.377 3.374 -2.745 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 -20.761 2.421 18.965 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 4.144 -0.007 7.469 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 -5.220 2.821 0.707 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 -1.514 17.114 21.396 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 4.177 5.653 -11.948 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 5.679 8.965 -4.969 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 4.470 -0.834 -4.086 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 -1.904 1.320 6.803 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 -5.889 -13.176 22.881 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 -0.004 3.811 -2.058 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 -12.742 -8.272 4.966 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 -4.575 4.519 0.974 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 12.371 -13.704 -17.854 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 -6.167 6.311 0.490 1.00 0.00 SBOX O ATOM 298 P URA A 17 -0.322 3.656 1.824 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 2.928 6.782 -2.863 1.00 0.00 SBOX ATOM 300 O2P URA A 17 -0.920 4.010 2.547 1.00 0.00 SBOX ATOM 301 O5' URA A 17 -2.360 0.204 0.343 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 2.383 0.759 -2.197 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 30.879 16.583 9.434 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 5.816 -17.215 -27.196 1.00 0.00 SBOX ATOM 305 C4' URA A 17 -1.574 2.772 0.709 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 5.883 -4.404 1.252 1.00 0.00 SBOX ATOM 307 O4' URA A 17 -3.997 -1.644 0.936 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 5.848 -1.078 -0.264 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 -17.896 2.709 2.518 1.00 0.00 SBOX ATOM 310 N1 URA A 17 -12.204 -1.236 1.985 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 3.710 0.848 2.246 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 -10.800 1.747 10.851 1.00 0.00 SBOX ATOM 313 C5 URA A 17 -1.500 7.072 -2.123 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 4.376 26.652 -8.788 1.00 0.00 SBOX ATOM 315 C4 URA A 17 -1.797 -0.429 -5.250 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 3.540 1.725 11.189 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 -5.146 4.109 -1.218 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 -8.485 -2.133 -8.991 1.00 0.00 SBOX ATOM 319 C2 URA A 17 -9.546 4.060 -6.613 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 7.674 -0.136 2.528 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 -2.533 1.852 -1.424 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 4.789 6.129 -7.789 1.00 0.00 SBOX ATOM 323 C2' URA A 17 -1.337 -0.264 -0.109 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 -2.375 7.321 -15.439 1.00 0.00 SBOX ATOM 325 O2' URA A 17 0.519 6.559 -0.145 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 19.618 7.112 -20.074 1.00 0.00 SBOX ATOM 327 O3' URA A 17 2.791 0.518 4.649 1.00 0.00 SBOX O ATOM 328 P GUA A 18 -3.668 -2.285 -3.821 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 1.274 1.496 0.642 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 -2.698 -3.013 1.025 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 1.609 6.221 0.937 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 4.852 7.501 -4.179 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 14.132 37.709 -22.952 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 2.655 0.088 -22.835 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 -1.729 3.441 5.461 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 -0.439 10.411 4.819 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 -5.040 -0.692 0.350 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 4.771 10.739 3.081 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 24.319 -14.955 -18.820 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 4.061 -2.588 6.880 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 3.055 -0.420 3.052 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 -2.157 5.126 -34.810 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 -1.567 -0.376 -0.071 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 7.950 4.080 0.479 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 -1.085 2.295 3.285 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 -2.605 -3.638 6.595 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 0.159 0.545 -0.177 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 12.008 -4.080 -31.349 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 8.171 1.231 6.790 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 3.295 -1.139 1.078 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 -6.565 7.020 6.215 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 13.572 11.674 -2.653 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 0.572 0.335 -5.958 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 4.526 -0.055 -3.750 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 -4.176 1.690 5.356 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 -5.451 11.775 10.705 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 1.015 -6.409 -0.816 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 12.231 34.665 -26.418 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 -0.110 -1.156 -6.107 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 -17.995 7.889 -39.282 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 -3.085 -4.071 -6.104 1.00 0.00 SBOX O ATOM 362 P GUA A 19 -2.913 0.073 0.635 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 2.245 4.398 -3.364 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 1.684 2.843 7.590 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 -1.082 1.235 0.511 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 0.456 -6.807 -2.735 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 2.908 -4.387 7.372 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 -21.890 12.480 10.005 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 3.384 -5.210 -1.951 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 -2.130 6.456 9.774 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 2.264 -0.861 -2.389 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 -1.175 0.808 -2.944 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 4.815 -7.411 -2.401 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 3.612 2.044 6.538 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 4.043 -10.669 -8.345 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 -1.707 -3.066 9.416 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 6.059 -1.342 -2.731 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 -6.720 -8.424 4.617 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 -4.264 4.153 -0.750 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 -2.655 6.017 2.685 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 -1.087 0.054 -1.009 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 3.369 -3.812 -22.145 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 9.474 -2.486 -2.908 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 0.264 3.490 3.337 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 7.229 11.574 -26.066 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 36.032 24.199 5.032 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 0.787 0.038 -0.990 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 3.862 -1.725 -2.050 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 -7.013 -1.208 -5.433 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 10.531 8.817 -4.401 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 8.794 -3.941 0.512 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 1.117 21.956 -8.837 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 3.183 6.161 -1.307 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 -3.158 0.152 4.886 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 -3.967 3.556 4.585 1.00 0.00 SBOX O ATOM 396 P ADE A 20 0.314 -4.871 -2.449 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 1.286 -1.682 7.203 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 5.327 0.482 0.792 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 2.507 -0.044 -7.766 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 -3.400 9.747 -1.479 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 -21.882 0.551 5.657 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 -2.551 14.126 -2.971 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 -0.730 1.332 7.842 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 9.997 -18.589 -11.164 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 4.605 1.226 0.351 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 0.618 8.242 2.361 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 3.644 -1.172 -8.250 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 -7.583 -8.544 1.893 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 -7.134 -2.008 2.636 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 -8.519 -0.330 34.975 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 2.764 -10.162 -6.472 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 2.284 -1.426 -1.375 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 7.070 8.004 0.692 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 -4.449 6.224 -0.162 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 6.354 -17.112 -12.481 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 -17.982 12.970 5.166 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 -6.155 -1.043 -3.380 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 -3.764 -0.108 -4.384 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 10.930 -4.485 5.778 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 -1.519 -7.012 0.174 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 -1.150 0.206 3.397 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 2.667 -4.291 7.091 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 11.249 24.514 34.415 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 -4.651 -2.670 -1.934 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 -18.387 -9.020 -0.829 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 4.241 1.704 0.319 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 -4.089 -5.429 3.451 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 -1.092 4.738 2.321 1.00 0.00 SBOX O ATOM 429 P GUA A 21 -0.640 5.490 1.344 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 -2.416 0.586 -2.680 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 -4.109 8.083 1.816 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 4.170 1.447 -1.220 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 -6.569 -2.913 -6.285 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 -4.323 -21.064 -2.975 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 20.863 -5.651 -1.513 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 3.981 -3.621 6.851 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 -15.909 -1.807 12.470 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 1.118 -6.894 1.376 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 6.669 1.031 -3.018 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 5.816 -0.271 -5.122 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 5.367 -0.463 2.459 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 -1.449 -0.178 -2.165 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 1.657 -21.383 0.340 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 -0.171 -6.416 0.483 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 5.634 9.532 -1.018 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 -1.058 -2.279 3.640 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 -1.514 0.785 2.317 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 -2.769 5.032 -2.385 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 -6.346 -1.564 24.923 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 0.386 4.688 -9.427 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 4.917 -1.414 -1.633 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 -0.852 -1.411 12.055 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 -0.043 16.842 -21.839 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 -3.473 -6.016 -2.982 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 2.164 -1.324 4.614 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 -4.247 7.856 -4.285 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 -17.350 7.835 -14.341 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 -1.715 -6.685 -2.706 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 21.111 -15.277 33.203 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 -2.773 -1.425 -0.282 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 3.862 -19.766 5.132 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 0.566 -1.328 0.587 1.00 0.00 SBOX O ATOM 463 P GUA A 22 -6.640 -0.006 -1.674 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 5.364 6.084 -5.551 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 -0.895 -6.756 -3.616 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 -2.124 -1.564 -8.200 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 -1.010 -0.714 -1.325 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 17.464 -2.545 -5.011 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 -41.148 13.097 10.460 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 3.344 -0.273 3.598 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 5.991 25.289 -18.104 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 3.910 -8.605 -4.499 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 1.224 -5.048 1.482 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 11.160 9.575 -7.959 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 -10.966 -10.013 -1.754 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 5.043 3.591 4.761 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 -7.966 23.027 3.407 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 -3.622 6.173 3.351 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 1.842 -2.455 2.300 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 -0.081 5.507 1.123 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 -2.949 0.881 -1.177 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 3.863 13.615 -5.388 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 6.870 -22.533 24.991 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 -3.613 -1.774 8.021 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 -2.049 -1.358 6.756 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 4.070 -3.339 5.798 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 -0.526 12.944 -3.386 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 -6.436 1.088 0.116 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 -4.356 1.232 0.341 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 0.895 2.663 -6.688 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 -11.480 -10.203 -7.717 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 1.691 -5.557 -0.021 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 5.703 -5.746 -3.155 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 -5.734 -0.005 6.821 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 -1.905 -16.482 -4.253 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 3.138 6.012 5.810 1.00 0.00 SBOX O ATOM 497 P GUA A 23 1.943 4.330 -2.184 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 -1.444 4.327 12.286 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 3.419 4.432 1.016 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 -0.749 3.166 3.491 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 -2.134 3.487 -1.869 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 -18.685 2.920 4.834 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 15.792 2.499 -2.825 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 -0.316 -2.848 4.333 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 -10.730 -26.660 6.061 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 -6.322 1.474 1.988 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 -0.320 2.920 1.136 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 5.505 -17.394 -11.402 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 -8.270 7.060 -0.095 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 1.375 3.891 0.740 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 2.610 5.285 -1.868 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 -3.936 0.790 3.158 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 4.840 4.589 4.094 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 8.138 -1.783 -3.484 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 0.509 -1.270 2.916 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 -4.068 4.687 -0.357 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 -21.525 9.418 -1.279 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 4.073 3.649 -12.789 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 -5.671 -6.003 5.136 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 4.148 -2.278 -7.667 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 1.213 8.754 2.309 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 3.027 4.559 2.632 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 -6.209 0.709 -5.412 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 -2.389 0.531 0.093 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 -4.251 -7.024 -3.120 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 -1.645 0.162 -10.024 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 8.162 1.939 -15.604 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 -1.004 -2.337 4.978 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 10.265 -27.483 -5.598 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 -2.910 4.766 -0.553 1.00 0.00 SBOX O ATOM 531 P ADE A 24 -4.704 -8.269 -4.797 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 2.169 -1.611 -4.116 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 1.869 -2.384 -1.639 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 4.568 -1.242 -1.109 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 5.165 3.240 -1.586 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 -3.090 -8.648 -0.801 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 -2.907 -10.947 -17.381 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 -0.532 -1.667 3.218 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 -10.025 5.320 12.240 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 -0.254 -1.036 2.727 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 1.647 -14.340 2.154 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 -17.182 -0.154 13.144 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 -7.315 -3.105 1.159 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 1.060 -7.688 2.751 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 -18.751 5.816 23.160 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 -2.952 -2.849 3.815 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 -5.567 -10.239 5.013 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 -2.369 3.300 2.514 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 6.425 -5.682 -10.625 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 -0.901 3.056 -4.052 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 -11.566 -34.249 3.264 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 -5.247 -0.413 2.780 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 1.452 1.108 1.895 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 9.677 2.421 -5.595 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 -3.031 -3.821 -5.635 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 2.939 -7.063 1.280 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 -2.093 -1.887 -0.347 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 -8.027 -7.792 11.795 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 -6.175 10.789 -5.799 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 -1.200 3.360 23.880 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 1.638 -3.536 -2.402 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 27.860 -25.020 15.113 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 -3.348 4.116 -6.388 1.00 0.00 SBOX O ATOM 564 P CYT A 25 4.198 1.604 -0.441 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 4.692 -3.272 2.487 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 -0.927 3.268 -5.467 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 -3.201 -6.850 0.901 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 -6.974 3.689 -1.097 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 -4.379 -4.866 9.429 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 -26.185 -35.227 -22.369 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 1.505 0.631 -11.922 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 -1.366 -2.782 -8.548 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 1.438 6.078 -5.689 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 1.815 -6.510 -10.533 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 -0.192 -11.346 -11.875 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 -2.809 -6.693 4.383 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 -0.539 4.658 -3.016 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 23.521 -14.135 -15.270 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 7.115 1.146 3.495 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 19.508 -14.878 -31.401 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 0.154 -0.677 -5.240 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 6.605 6.146 -7.544 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 11.434 16.367 7.468 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 5.311 2.938 -9.326 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 0.567 2.999 -7.294 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 -5.738 -1.950 -0.383 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 5.412 2.020 1.761 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 0.478 5.379 -3.950 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 3.853 -15.880 -12.059 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 -0.028 4.508 -3.342 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 -10.248 -2.436 14.942 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 -10.898 -2.125 -3.348 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 -17.192 -0.554 -8.961 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 -0.527 2.625 3.206 1.00 0.00 SBOX O ATOM 595 P URA A 26 1.564 -3.086 -1.901 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 -3.822 1.067 3.398 1.00 0.00 SBOX ATOM 597 O2P URA A 26 -2.463 -0.511 5.983 1.00 0.00 SBOX ATOM 598 O5' URA A 26 -3.363 3.388 0.229 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 -4.373 -3.355 -2.456 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 22.426 -12.798 -6.091 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 -4.006 17.964 -2.325 1.00 0.00 SBOX ATOM 602 C4' URA A 26 -2.505 3.242 -5.314 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 -33.189 -13.743 7.564 1.00 0.00 SBOX ATOM 604 O4' URA A 26 -0.426 2.514 0.048 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 3.966 -1.876 6.856 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 11.186 -1.727 8.777 1.00 0.00 SBOX ATOM 607 N1 URA A 26 -0.133 6.109 -4.321 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 5.879 -5.927 -2.010 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 -2.687 8.551 -40.900 1.00 0.00 SBOX ATOM 610 C5 URA A 26 0.377 3.220 -4.309 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 8.443 0.737 16.736 1.00 0.00 SBOX ATOM 612 C4 URA A 26 -0.369 6.204 0.989 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 1.604 5.077 -6.585 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 4.859 6.199 -3.326 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 3.063 8.631 13.862 1.00 0.00 SBOX ATOM 616 C2 URA A 26 0.126 -5.077 -1.931 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 -4.542 7.241 1.057 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 -5.040 -0.747 -4.077 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 -0.299 3.287 0.237 1.00 0.00 SBOX ATOM 620 C2' URA A 26 0.147 4.283 -1.541 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 6.002 16.208 -4.833 1.00 0.00 SBOX ATOM 622 O2' URA A 26 6.038 6.288 3.638 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 9.360 -18.292 28.129 1.00 0.00 SBOX ATOM 624 O3' URA A 26 3.391 -0.583 4.092 1.00 0.00 SBOX O ATOM 625 P GUA A 27 1.422 -7.211 -1.659 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 1.004 0.065 0.303 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 0.708 1.957 -3.588 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 1.640 -6.167 -7.064 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 -4.067 5.992 5.562 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 17.199 5.258 -9.182 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 16.348 13.182 13.677 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 6.699 5.102 -0.233 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 7.647 4.706 2.399 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 1.145 -2.892 4.702 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 -6.391 1.029 7.221 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 -12.193 -10.002 -9.352 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 -0.056 1.930 -1.291 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 11.333 -2.260 -0.437 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 9.270 -10.898 -5.388 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 -0.835 -3.262 5.389 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 2.814 4.267 1.162 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 -4.681 1.895 3.661 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 -4.004 1.542 -0.791 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 -4.579 1.583 1.718 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 -17.239 -15.865 -9.454 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 -4.979 10.600 1.941 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 -3.502 -0.056 5.427 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 21.251 43.803 25.515 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 6.797 0.097 7.035 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 1.768 2.748 5.085 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 3.563 -4.778 3.623 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 3.670 4.742 5.348 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 -6.614 6.073 -11.222 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 -1.601 4.008 -3.781 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 -16.895 -9.538 5.074 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 -3.031 -0.467 -9.929 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 -6.329 2.594 -14.711 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 -7.105 3.787 -2.040 1.00 0.00 SBOX O ATOM 659 P GUA A 28 -3.000 -2.714 -4.035 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 8.030 1.181 -5.435 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 -4.980 -5.024 0.215 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 0.014 1.141 1.634 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 0.486 -3.638 3.841 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 3.445 -0.117 2.580 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 -4.630 -0.603 2.951 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 0.120 -2.264 6.335 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 3.270 -4.602 -7.878 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 -3.793 4.081 1.287 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 -2.157 -3.367 -1.780 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 31.167 -9.877 13.899 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 8.678 4.592 3.937 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 -0.121 -0.409 -0.436 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 11.575 9.883 14.832 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 -4.770 1.753 -0.033 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 -3.137 0.027 -1.285 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 1.771 2.878 3.220 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 -6.143 -6.433 3.199 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 -0.722 2.906 1.581 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 -12.319 5.319 -14.117 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 3.699 3.337 -11.337 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 -7.638 6.315 9.132 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 -14.901 7.926 1.268 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 -1.353 0.227 9.193 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 -1.530 1.720 2.299 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 -3.592 1.118 -2.118 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 3.169 2.220 8.267 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 -3.892 3.089 -2.191 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 10.210 3.310 -7.309 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 13.903 1.894 -21.716 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 -3.658 -0.495 -4.076 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 2.932 -38.054 24.693 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 0.598 3.127 3.657 1.00 0.00 SBOX O ATOM 693 P CYT A 29 -2.841 -1.110 -2.209 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 0.310 -4.761 10.375 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 -5.690 -5.638 -5.682 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 -3.115 3.842 -5.177 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 -1.244 -6.509 2.944 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 -23.246 -24.967 -14.277 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 8.581 -0.818 -7.452 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 -8.552 3.337 -2.186 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 -10.043 15.270 -3.695 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 2.554 5.365 0.327 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 -1.113 -1.235 -0.011 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 -4.734 -5.912 -1.422 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 8.616 0.539 -2.795 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 6.645 -3.316 -0.307 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 7.635 0.963 -10.488 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 1.716 2.544 -4.539 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 7.785 18.653 -13.599 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 1.341 -0.510 0.643 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 0.027 7.794 -9.826 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 2.334 3.379 1.458 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 -19.224 -21.505 -14.314 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 -4.399 0.905 5.635 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 -3.443 1.921 -11.136 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 6.900 -3.291 1.729 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 6.595 4.359 -2.117 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 10.085 6.258 9.490 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 -5.926 -8.140 -3.623 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 -21.611 -5.496 -18.990 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 0.685 2.612 -1.424 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 20.225 3.431 10.339 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 -5.916 4.089 1.306 1.00 0.00 SBOX O ATOM 724 P CYT A 30 -2.327 0.366 -1.362 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 1.486 -3.035 2.513 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 5.006 -1.983 -4.426 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 1.201 -3.754 2.133 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 -5.849 -8.078 1.532 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 -7.575 22.256 17.025 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 -13.545 -21.853 -17.412 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 -0.953 -3.567 -0.261 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 6.006 4.260 16.733 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 -3.031 0.008 3.587 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 0.014 8.185 0.154 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 -28.925 12.023 -9.680 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 0.319 -1.300 -1.781 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 -10.076 -1.835 -5.278 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 -42.841 9.998 8.696 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 2.307 -9.535 4.568 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 -2.739 -5.447 -6.388 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 1.553 4.078 -2.187 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 1.631 5.791 0.334 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 18.094 -6.898 10.536 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 0.332 7.489 -3.015 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 -4.360 4.064 -7.103 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 1.370 -7.549 2.308 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 -3.523 0.299 -2.149 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 1.604 -7.172 3.210 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 -3.186 3.599 -2.602 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 10.250 -0.607 -7.291 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 9.508 3.325 12.865 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 -9.944 -0.541 -0.390 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 -41.447 -5.165 14.779 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 5.744 4.171 0.996 1.00 0.00 SBOX O ATOM 755 P CYT A 31 -3.007 -0.093 0.246 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 0.735 -5.595 2.576 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 0.381 1.040 7.627 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 3.948 4.073 -1.071 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 3.200 1.799 1.549 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 7.527 11.894 18.821 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 5.628 5.398 2.157 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 1.531 -7.117 1.601 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 17.584 3.330 12.546 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 -3.056 0.346 -1.335 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 -4.838 0.411 -8.832 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 -8.689 -32.835 -0.732 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 -2.325 1.724 -1.475 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 9.084 7.246 -2.553 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 -7.115 23.426 25.142 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 -4.559 -4.762 -4.477 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 -4.866 8.611 -18.284 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 3.008 -12.258 -4.298 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 1.517 -3.055 -2.042 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 8.599 -22.048 -1.032 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 -18.563 -5.800 1.668 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 5.417 0.257 -1.822 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 1.031 -0.747 -4.250 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 -2.115 -2.742 10.061 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 3.808 6.049 3.127 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 13.573 34.251 -5.697 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 3.745 -10.116 -1.688 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 -0.119 -19.074 -17.997 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 -1.506 0.407 2.517 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 0.217 5.630 -1.406 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 -5.692 0.881 -6.637 1.00 0.00 SBOX O ATOM 786 P GUA A 32 -4.281 -2.696 -2.190 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 -1.049 1.649 -8.343 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 -3.097 -1.663 5.688 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 1.206 -2.613 5.816 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 6.305 6.865 -0.960 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 -12.875 -38.914 -21.243 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 9.576 3.185 -10.968 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 4.649 0.556 2.768 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 -4.703 -6.664 13.255 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 -9.462 -8.780 0.123 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 -7.608 -9.470 0.771 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 3.543 3.789 -12.529 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 -1.111 -3.982 -1.152 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 -2.119 -1.953 -1.139 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 -5.240 6.394 -14.777 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 -0.753 -7.865 4.758 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 -2.908 12.031 -0.318 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 5.296 -0.597 11.986 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 -10.087 -2.142 5.242 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 2.080 -0.249 -1.912 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 -1.609 -6.447 -12.375 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 2.247 3.044 -2.227 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 -5.929 1.912 1.491 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 -9.460 -3.840 25.274 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 -8.844 5.596 -4.325 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 0.347 3.127 0.769 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 4.182 -12.044 3.925 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 6.075 -1.201 -0.102 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 25.641 -1.905 0.881 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 0.660 0.241 2.259 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 2.094 9.700 4.768 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 0.078 2.375 0.926 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 -8.483 22.865 -33.952 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 -6.921 -4.702 4.597 1.00 0.00 SBOX O ATOM 820 P ADE A 33 -1.915 -0.136 -2.430 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 -5.488 6.845 -3.360 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 -0.290 -3.295 -6.002 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 3.791 3.618 -10.900 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 -6.068 -12.871 1.888 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 3.749 2.066 -10.166 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 -19.070 7.469 -1.408 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 -4.940 -4.953 2.428 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 -4.369 -6.533 8.650 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 2.937 -7.240 3.573 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 1.709 0.073 -1.912 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 15.862 7.390 10.786 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 -6.568 1.515 4.049 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 -3.913 7.277 0.176 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 -9.899 8.607 3.325 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 3.630 -0.284 1.121 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 -2.971 3.061 1.706 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 -0.079 1.185 6.907 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 1.812 -8.136 5.396 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 5.144 -12.760 -3.166 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 -13.242 3.660 -3.323 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 0.664 -1.060 0.039 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 0.992 -6.169 -5.590 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 17.410 -6.942 26.032 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 -4.441 7.354 7.813 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 -2.331 1.970 -0.788 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 0.755 -6.262 -1.051 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 7.748 -6.877 -3.355 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 1.429 -3.324 5.738 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 -15.128 -9.137 34.638 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 -0.363 -4.595 1.315 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 -2.456 -6.979 20.586 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 3.188 2.770 2.446 1.00 0.00 SBOX O ATOM 853 P URA A 34 1.548 0.239 1.051 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 1.346 -1.307 4.281 1.00 0.00 SBOX ATOM 855 O2P URA A 34 -3.160 -0.040 8.142 1.00 0.00 SBOX ATOM 856 O5' URA A 34 0.895 0.321 -1.338 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 2.064 -3.134 0.047 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 25.029 -13.564 -3.268 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 -13.307 1.909 -5.930 1.00 0.00 SBOX ATOM 860 C4' URA A 34 1.877 -1.421 -7.893 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 19.035 -4.934 -8.982 1.00 0.00 SBOX ATOM 862 O4' URA A 34 -0.916 -1.326 3.772 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 10.376 -4.010 -7.303 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 -16.339 -8.463 9.427 1.00 0.00 SBOX ATOM 865 N1 URA A 34 -3.684 6.387 -1.621 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 -3.354 7.329 -1.100 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 8.956 -20.069 10.470 1.00 0.00 SBOX ATOM 868 C5 URA A 34 1.252 5.742 1.221 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 -6.412 9.802 -20.860 1.00 0.00 SBOX ATOM 870 C4 URA A 34 -2.708 -7.480 -5.642 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 1.027 -9.411 1.526 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 5.777 9.457 0.052 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 2.483 2.070 -42.206 1.00 0.00 SBOX ATOM 874 C2 URA A 34 -0.102 6.883 -2.359 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 -0.995 0.393 -7.289 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 1.673 -2.977 -0.252 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 -31.600 -2.853 -1.848 1.00 0.00 SBOX ATOM 878 C2' URA A 34 2.770 -2.588 0.180 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 5.574 -17.900 -21.076 1.00 0.00 SBOX ATOM 880 O2' URA A 34 -4.028 -0.193 4.704 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 9.355 -35.990 15.246 1.00 0.00 SBOX ATOM 882 O3' URA A 34 -4.863 1.109 -4.509 1.00 0.00 SBOX O ATOM 883 P GUA A 35 -0.400 -4.991 -2.153 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 -3.327 -0.855 -2.694 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 -6.265 2.245 1.290 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 -3.302 -4.410 1.254 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 2.620 -4.436 -3.176 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 -5.316 -33.543 -27.714 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 -2.003 9.858 -26.541 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 1.762 -1.892 4.365 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 8.237 -5.903 -7.614 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 4.169 1.711 8.826 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 -2.224 -7.347 3.935 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 46.301 36.476 -13.958 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 -2.983 -6.333 2.286 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 -1.472 2.446 -5.326 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 -3.238 10.870 12.562 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 5.779 -1.407 -1.185 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 5.285 -2.607 -9.837 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 -6.129 2.240 4.722 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 3.151 -6.359 2.869 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 3.569 -2.326 -5.750 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 16.895 -23.526 -0.137 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 -7.454 6.927 -4.297 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 -1.967 -3.537 -2.144 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 8.086 -18.794 -3.409 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 -24.614 -1.751 -5.230 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 -6.647 -0.492 -9.879 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 -1.599 7.420 -2.210 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 -1.466 -12.589 -1.666 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 -4.320 -9.283 -26.502 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 -3.984 3.047 0.146 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 5.850 -11.601 -3.610 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 -0.120 -2.868 2.715 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 -21.632 -20.231 -19.745 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 -5.180 -0.473 -7.601 1.00 0.00 SBOX O ATOM 917 P ADE A 36 -1.897 -4.068 3.267 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 -4.291 -2.380 -2.797 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 -2.334 -3.880 3.583 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 1.084 -1.182 3.201 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 3.202 -4.918 0.027 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 19.881 3.769 -5.319 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 -2.895 10.035 -13.623 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 -7.002 5.072 0.131 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 0.579 -1.729 -9.040 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 -5.351 -0.624 5.910 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 -2.353 2.755 1.807 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 3.066 15.678 -18.505 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 -4.602 -10.131 -2.573 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 1.948 -9.750 -10.977 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 3.121 16.848 -17.846 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 1.312 2.321 5.688 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 0.660 8.932 11.769 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 -2.247 0.279 6.961 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 1.877 -9.012 -3.182 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 2.638 -5.179 -10.736 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 5.359 -4.179 -1.185 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 1.861 -2.592 -7.905 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 -7.756 6.526 2.710 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 -2.935 8.655 -3.186 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 2.391 -1.855 -4.952 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 9.134 8.831 -7.205 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 -8.512 4.514 -3.206 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 6.259 -0.413 6.554 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 -1.903 -3.189 4.865 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 1.855 30.401 -19.700 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 -3.625 -0.378 -1.679 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 20.728 5.038 11.947 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 0.191 1.203 3.470 1.00 0.00 SBOX O ATOM 950 P ADE A 37 2.916 -4.613 2.007 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 -0.247 2.681 -7.606 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 4.076 -1.138 -4.478 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 -2.573 -4.978 6.624 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 7.151 -0.092 2.261 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 16.713 2.413 -0.828 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 29.747 -17.972 3.559 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 1.527 1.391 -2.007 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 7.030 9.842 11.674 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 0.851 2.748 4.621 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 3.753 4.102 2.845 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 -0.631 -14.719 14.108 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 -13.056 -2.642 -7.093 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 4.704 2.162 0.297 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 9.310 -7.108 0.058 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 -0.766 -0.126 2.552 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 -1.613 1.187 -0.016 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 3.873 -4.932 7.965 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 0.849 1.720 4.179 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 -9.514 10.302 -11.002 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 5.043 10.064 -5.361 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 -0.461 2.483 4.186 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 -5.123 -4.661 3.552 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 -3.496 11.274 8.652 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 -0.259 -4.386 1.025 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 11.858 -6.311 3.085 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 -3.047 6.295 -0.666 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 0.708 8.446 -10.532 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 0.664 1.214 -0.450 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 17.085 1.439 -13.787 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 6.738 -2.673 3.691 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 22.152 2.880 18.496 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 -2.321 4.914 -0.831 1.00 0.00 SBOX O ATOM 983 P ADE A 38 -1.613 -9.416 3.771 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 4.344 -4.025 -2.156 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 -0.178 -0.957 0.506 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 -4.692 6.616 -5.880 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 -5.971 3.428 8.966 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 -2.602 8.216 8.500 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 -16.625 24.360 14.026 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 2.951 6.347 -1.299 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 -5.127 10.639 23.673 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 -2.383 0.915 1.578 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 5.391 3.530 -2.963 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 20.833 -7.861 6.879 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 1.233 2.519 -6.219 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 1.091 3.515 -1.061 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 -12.780 -3.370 -16.599 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 9.381 2.812 -0.557 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 -5.329 0.060 -6.874 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 9.198 -5.318 2.445 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 2.797 -0.254 1.002 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 2.389 5.817 11.812 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 13.637 -7.302 -6.344 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 -6.143 -0.316 1.006 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 -2.216 -4.026 -0.613 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 7.687 -11.455 0.395 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 -1.252 5.551 -7.573 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 12.250 11.246 3.590 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 3.562 -1.457 2.896 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 -5.144 29.554 5.116 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 -3.328 7.184 -6.481 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 -1.057 10.879 -8.512 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 -1.521 -0.466 4.152 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 2.156 -19.995 -5.747 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 -1.718 1.060 -2.187 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 -1.805 -0.834 2.139 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 2.366 9.664 -3.780 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 -2.710 2.490 5.078 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 -2.318 -2.576 -4.339 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 -3.230 -2.712 -1.924 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 3.272 2.433 7.840 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 11.030 -12.499 -4.611 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 5.251 4.045 0.773 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 16.930 -1.089 -21.295 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 3.878 -4.785 1.000 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 -8.575 -3.731 -1.210 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 30.304 -13.220 4.082 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 -0.623 -1.854 -3.430 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 -0.369 5.858 2.270 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 3.864 -7.146 -6.253 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 -6.855 -1.284 8.176 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 0.198 -3.171 4.445 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 -3.015 1.829 8.253 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 -2.072 3.665 -1.484 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 -39.817 18.461 30.358 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 -12.121 8.213 5.090 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 5.284 0.094 3.662 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 -3.448 -4.336 1.394 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 1.050 2.307 -0.034 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 0.304 -5.705 -9.410 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 -19.701 11.271 -11.018 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 -2.547 0.224 -0.570 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 -1.162 -4.695 6.626 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 0.075 0.237 -2.382 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 13.534 25.817 -10.213 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 -2.365 -1.464 -2.043 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 0.273 -1.789 6.083 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 5.557 -0.634 -3.636 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 5.644 1.741 3.399 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 -4.688 -0.889 2.685 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 -0.441 3.444 -1.913 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 -16.965 50.390 -32.431 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 -21.822 -7.743 1.587 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 3.472 0.769 -0.415 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 18.709 0.989 14.273 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 5.007 -0.398 6.075 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 5.587 8.345 3.962 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 11.544 -2.205 -3.189 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 -8.004 4.233 -0.701 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 -1.289 4.476 3.246 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 -12.734 -30.488 8.768 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 3.708 -0.351 8.571 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 18.068 -1.051 9.641 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 1.114 0.381 -3.856 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 3.369 2.195 -0.602 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 22.446 6.930 -15.207 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 -17.892 -4.783 -9.049 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 -0.593 -1.297 -5.587 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 1.186 6.525 7.025 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 -6.730 -2.041 -8.227 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 3.203 -3.359 -12.054 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 -12.576 1.830 -11.318 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 0.222 -6.718 -1.286 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 -3.727 6.438 13.589 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 3.107 -3.978 4.771 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 9.390 18.666 -8.323 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 -2.492 3.038 -3.485 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 -3.582 -4.463 1.072 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 1.145 2.721 -4.764 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 2.424 0.880 4.608 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 -3.398 -0.049 -4.667 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 3.839 -3.955 -1.151 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 -25.915 19.023 -22.720 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 13.065 -1.160 5.602 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 -6.719 2.079 6.102 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 27.891 10.447 23.365 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 -2.853 7.002 7.521 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 9.981 2.981 1.003 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 -6.979 -7.907 -1.416 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 4.844 2.991 4.221 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 1.842 3.367 7.413 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 5.646 8.918 0.404 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 -1.682 -1.700 0.573 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 -9.860 24.782 20.709 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 3.909 -1.732 6.392 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 -3.442 -1.772 1.291 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 -3.364 3.281 -0.200 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 -16.967 -3.611 10.497 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 5.727 4.521 -6.227 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 -1.110 3.245 7.550 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 -6.816 -4.548 -7.233 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 -4.152 1.542 -5.441 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 0.177 -7.994 -14.943 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 6.705 -0.285 -2.531 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 10.098 -0.077 22.716 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 -7.224 -2.952 3.247 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 -8.209 0.086 12.940 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 3.055 -6.987 1.856 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 0.625 2.569 -1.942 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 -6.633 2.490 1.166 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 0.355 -0.708 -4.652 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 1.428 3.161 -0.073 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 -3.529 -0.872 -7.164 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 -4.039 2.572 -5.935 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 -4.872 -14.860 2.221 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 -2.981 -2.830 -0.615 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 8.131 -13.437 -13.011 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 -0.843 5.585 7.930 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 -2.280 0.324 -8.296 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 -9.862 -31.803 6.078 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 -6.260 9.100 -0.315 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 -2.577 1.056 3.388 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 -24.438 2.540 -9.111 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 0.806 4.574 -7.333 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 4.397 3.506 4.963 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 3.992 0.158 1.744 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 -4.821 -4.727 -2.971 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 5.339 -0.545 -13.089 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 7.501 -0.320 -18.482 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 -0.174 2.233 0.470 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 -5.886 -2.066 7.640 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 -18.267 -8.956 -24.589 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 11.803 28.082 -4.359 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 3.747 -4.908 0.964 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 4.907 0.750 7.955 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 -1.804 1.404 -3.226 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 -22.174 -16.798 9.729 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 -0.069 7.610 -0.894 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 0.426 11.387 4.651 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 1.809 1.694 -0.315 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 4.419 -10.073 27.217 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 -7.471 -2.136 1.674 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 1.878 3.869 2.437 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 -1.883 -3.411 5.163 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 1.946 0.277 -1.552 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 -2.321 3.402 1.181 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 -5.922 -5.192 0.176 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 4.807 -15.780 -6.125 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 3.196 23.838 18.742 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 -2.429 -2.146 5.009 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 -13.806 19.810 5.908 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 7.835 0.470 -7.269 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 2.957 -3.196 -0.034 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 29.629 14.885 -3.165 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 7.646 -6.152 -3.297 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 9.215 -7.592 8.658 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 9.728 -2.950 22.179 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 2.017 -3.930 6.062 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 -4.348 3.947 -3.687 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 8.312 -5.312 -0.306 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 -0.960 -2.125 -0.476 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 2.753 0.246 2.635 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 18.050 11.185 -5.304 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 8.412 -2.705 -10.736 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 -1.129 4.707 -1.354 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 6.912 21.876 5.816 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 6.642 1.128 -4.000 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 -8.727 -0.069 -2.368 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 -11.158 -3.493 -4.694 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 -2.858 3.928 1.599 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 -27.325 6.191 8.801 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 -6.205 -1.197 -0.381 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 20.784 -9.798 -10.330 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 4.508 -1.459 7.124 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 4.740 -0.637 8.869 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 1.524 0.949 -0.544 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 5.364 -2.546 -4.376 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 3.665 -6.409 0.794 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 5.604 -1.998 -1.132 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 7.812 1.033 -4.607 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 -0.992 -1.008 4.628 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 -15.163 12.323 7.601 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 0.354 9.178 27.267 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 0.412 2.616 1.946 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 9.611 24.755 -31.142 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 -6.508 -0.378 2.265 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 7.381 -1.150 6.657 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 6.056 13.530 -17.986 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 -1.349 8.445 -3.310 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 -7.545 -3.849 2.573 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 -6.903 13.932 18.219 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 12.170 6.085 0.364 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 -5.746 5.288 -13.866 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 4.128 -7.181 -9.294 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 -11.285 -3.244 -4.057 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 1.320 20.061 -11.987 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 -8.889 -7.504 -19.628 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 4.483 3.913 -2.198 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 9.499 3.840 -3.310 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 8.290 -2.370 8.434 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 10.191 -1.563 -5.719 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 -6.284 -9.517 7.086 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 -1.076 8.372 -8.553 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 -11.998 -15.888 -8.734 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 6.100 -4.058 3.418 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 -8.484 -5.800 29.174 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 2.004 -1.145 -3.323 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 0.910 -0.374 3.036 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 3.113 6.834 -0.485 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 -3.473 -1.722 -9.871 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 -4.337 0.081 2.426 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 -0.931 -3.416 -4.064 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 -9.573 11.802 -9.899 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 -6.638 -0.075 -24.838 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 -1.416 -0.186 -3.471 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 10.115 0.055 25.269 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 4.138 -1.425 4.095 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 -6.074 2.069 1.381 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 -2.193 -5.691 -37.363 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 1.642 -5.956 4.517 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 -3.397 -0.909 8.597 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 -7.856 5.404 16.575 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 6.782 0.609 4.103 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 11.427 -5.056 3.386 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 -9.496 2.972 -6.437 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 1.501 2.074 -10.871 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 -11.955 9.278 1.606 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 -5.771 -12.926 -4.410 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 7.415 -9.032 3.668 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 4.257 0.878 -6.681 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 4.983 3.904 -5.392 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 -0.457 -4.322 -1.617 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 4.192 2.231 -4.953 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 -7.857 2.817 -4.634 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 -16.729 -4.025 12.730 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 2.025 -0.121 -4.559 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 -7.551 12.911 -20.982 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 11.384 6.114 4.866 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 -9.606 15.518 6.564 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 1.437 -2.576 4.353 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 0.954 -6.474 1.201 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 -2.174 0.239 -2.261 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 -6.376 -1.206 0.461 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 8.174 -4.172 1.958 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 -1.355 4.112 6.234 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 -7.265 -7.206 9.287 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 4.280 -6.668 -3.058 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 -5.991 9.450 3.356 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 -15.299 -0.070 -4.346 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 3.443 1.468 -1.601 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 -0.996 -0.403 4.258 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 8.426 -12.212 -8.587 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 3.653 -1.616 2.113 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 4.038 5.799 -5.499 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 14.814 -3.669 -33.032 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 -0.174 -7.814 6.410 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 -3.007 -4.865 6.403 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 -4.136 0.118 8.455 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 -9.307 7.394 -0.175 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 6.714 -10.369 -26.541 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 -10.416 11.304 -0.785 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 -2.455 5.248 5.561 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 3.855 -1.406 6.608 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 10.780 5.246 -32.367 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 4.190 -7.870 1.853 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 0.470 4.261 1.279 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 -7.500 1.341 -1.453 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 -7.966 -0.655 -3.216 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 5.139 -3.831 3.528 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 2.731 -2.111 -2.270 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 1.097 1.069 4.838 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 -12.696 3.119 4.009 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 0.085 -1.039 1.445 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 2.106 -3.844 0.864 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 4.521 7.004 1.965 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 -3.751 -6.629 1.986 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 -8.599 -3.052 -2.351 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 -3.929 -2.317 -0.734 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 -4.209 -0.754 -0.999 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 -6.801 -28.261 -18.336 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 7.930 5.258 3.789 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 4.674 -1.247 -6.938 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 -3.119 1.488 2.017 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 -1.657 -1.826 -11.115 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 -6.012 -15.534 -1.145 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 3.426 -8.254 -0.429 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 -2.688 -4.749 -1.076 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 0.730 -5.338 -4.816 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 6.949 -3.361 -0.391 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 30.427 -6.929 -18.124 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 2.256 -2.850 4.391 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 1.057 -4.167 1.372 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 -20.004 11.558 18.879 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 2.830 -15.145 -4.847 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 -2.033 3.593 1.203 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 7.155 4.071 -2.797 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 4.438 1.669 2.535 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 -3.256 -0.687 -1.461 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 14.625 16.797 13.591 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 -5.338 5.190 9.887 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 -12.499 -0.651 22.784 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 2.541 -1.200 5.570 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 1.361 5.085 -6.092 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 -3.421 -7.186 -3.469 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 3.262 1.698 1.376 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 -3.099 -0.572 -2.229 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 0.223 -1.635 2.642 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 0.668 -4.254 -0.966 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 0.028 1.069 -4.198 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 -18.354 -3.476 -17.919 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 16.669 23.039 15.408 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 -6.044 -9.466 7.290 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 0.135 -12.720 -3.854 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 -4.120 -1.132 -8.026 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 -6.851 0.023 2.617 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 -10.963 5.633 -4.841 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 0.330 -1.200 7.771 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 7.656 -5.947 -1.735 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 -11.000 -1.015 14.695 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 -3.135 2.724 -0.044 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 -4.868 -20.418 18.769 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 -0.124 -2.666 1.184 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 -7.878 6.079 4.171 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 -13.302 6.390 5.553 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 -5.466 11.199 -2.959 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 -8.480 -5.147 -0.929 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 -0.611 3.032 -1.576 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 -0.277 -3.841 -1.182 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 -1.959 0.290 -6.285 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 0.048 23.774 -0.501 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 -7.671 -4.177 5.638 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 -2.846 -6.205 23.909 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 3.151 -2.287 3.040 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 -16.250 -0.836 -17.147 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 -6.473 -1.869 2.243 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 3.543 -2.821 -1.848 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 7.371 -0.588 -0.371 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 -5.860 6.334 2.365 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 2.173 9.318 -4.981 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 5.207 3.886 -3.872 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 -18.231 -28.262 3.672 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 -9.723 -36.912 -8.162 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 10.513 1.898 6.215 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 4.377 -15.781 24.109 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 -0.045 -4.166 -1.098 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 6.273 -4.317 -7.663 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 -27.987 17.754 -19.585 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 -8.037 -3.321 0.310 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 -0.903 -4.012 -1.143 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 27.395 -4.894 -12.676 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 -1.124 -3.655 2.264 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 6.280 -2.024 -1.135 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 0.878 -6.298 2.243 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 -0.223 -0.904 -3.981 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 -8.853 6.189 9.432 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 -9.858 1.387 -10.814 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 -2.808 6.128 -4.326 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 -9.503 2.169 4.858 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 -14.076 1.788 -8.945 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 3.717 -2.415 4.867 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 2.266 -4.936 7.586 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 -4.860 3.787 6.417 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 -8.283 16.038 0.238 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 -6.963 3.553 3.388 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 4.986 21.328 8.703 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 2.339 -4.553 -6.613 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 11.983 -15.111 -6.828 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 -1.837 5.942 1.716 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 4.415 -3.515 -2.693 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 -9.544 3.885 6.014 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 7.817 -0.169 -8.075 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 2.109 0.616 1.655 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 1.320 -2.682 5.181 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 3.315 7.581 16.600 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 20.671 -9.259 12.224 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 -4.031 3.770 6.277 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 21.116 -15.646 20.006 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 -12.024 -2.765 0.768 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 5.870 -5.766 -1.384 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 34.821 -2.226 12.474 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 -4.268 -0.213 -8.180 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 0.365 -4.800 1.438 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 10.752 11.128 2.822 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 4.763 -3.400 8.013 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 2.399 6.312 2.256 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 -7.692 -3.648 -12.525 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 -3.927 -4.947 3.614 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 -1.937 -2.001 2.547 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 14.022 42.542 -16.706 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 -2.745 0.241 -3.753 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 9.575 0.701 2.121 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 21.833 -7.913 -12.869 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 -8.943 14.723 1.691 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 0.129 -1.799 -4.958 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 5.924 4.473 -6.884 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 7.138 -1.638 -2.829 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 -18.179 12.460 29.146 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 -0.693 3.956 1.490 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 -2.159 2.883 10.529 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 1.922 4.625 0.545 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 -0.379 -6.536 -9.165 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 7.307 -4.336 1.957 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 0.109 1.014 -1.550 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 -2.185 -4.912 2.378 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 2.406 2.912 -7.945 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 5.084 -5.581 -6.810 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 -5.007 6.212 1.178 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 9.346 -9.475 -2.707 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 15.176 -19.123 35.565 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 7.325 -5.979 -8.208 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 6.531 -5.721 6.624 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 -3.990 -0.168 -2.802 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 -0.907 0.783 3.648 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 -11.591 -11.822 -11.685 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 0.353 6.817 6.825 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 -2.282 -3.681 -0.875 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 9.424 3.829 1.963 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 -4.638 -1.044 -5.200 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 -11.156 -7.861 -2.558 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 -0.793 -0.379 -1.630 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 -2.978 -2.829 3.012 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 -15.347 -6.022 4.904 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 -3.236 -18.838 -1.885 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 5.644 -7.452 3.121 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 0.802 0.765 0.036 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 -2.318 9.077 8.901 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 -7.689 -0.055 4.603 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 -3.901 -3.413 -3.076 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 -3.240 5.522 2.377 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 2.238 -18.706 -20.075 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 -2.174 9.882 -2.797 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 1.858 18.837 8.497 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 -0.912 1.361 -1.429 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 20.470 -5.257 10.705 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 -5.457 3.441 -3.859 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 4.046 0.311 -0.905 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 8.297 0.209 3.524 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 -1.835 -2.408 6.621 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 0.181 3.631 -3.633 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 3.494 -11.513 1.017 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 -32.380 15.569 -10.510 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 1.874 0.617 -9.067 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 1.686 1.626 6.714 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 -2.369 35.895 -4.904 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 0.144 -8.189 2.942 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 0.400 1.779 -2.670 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 4.375 -5.106 12.167 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 8.107 -3.914 6.051 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 -0.179 -4.844 6.935 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 -15.216 -7.250 22.557 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 -0.750 -3.615 -1.549 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 4.516 -0.465 -1.985 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 9.097 1.499 0.312 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 4.312 -6.040 -2.513 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 -2.940 -1.552 11.001 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 3.648 -5.251 -17.294 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 4.188 0.983 -6.027 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 0.433 -1.530 7.501 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 -27.454 -13.001 0.829 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 -3.248 -2.971 -10.913 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 1.303 -7.113 5.200 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 3.613 3.558 2.201 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 -2.944 -31.586 -0.238 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 -1.564 2.450 -0.247 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 0.397 -4.344 -9.308 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 -2.741 5.642 -3.327 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 13.549 -2.520 -3.142 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 1.483 -0.976 5.419 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 -0.148 -5.119 4.857 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 -3.694 -1.022 7.645 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 2.498 1.579 -0.880 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 -4.252 3.560 -5.035 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 -1.060 4.845 0.436 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 -11.789 6.145 -15.871 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 17.471 -16.163 -4.544 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 0.857 2.238 -2.789 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 9.583 9.051 -2.310 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 -4.443 -0.072 -4.676 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 -0.725 2.788 6.691 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 -22.692 2.355 7.089 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 7.413 -1.296 -1.137 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 6.507 -5.339 0.459 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 -28.650 22.121 32.428 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 1.668 -0.498 -6.708 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 2.699 1.807 -1.506 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 -2.053 0.740 -7.536 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 -11.093 5.237 -6.126 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 -8.245 3.704 -12.097 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 21.346 -14.839 -3.890 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 -3.626 3.429 6.334 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 5.443 -4.284 4.956 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 14.885 -13.626 20.456 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 -2.205 -5.169 -3.929 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 3.487 -1.287 1.020 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 0.984 -7.542 -8.128 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 15.376 0.096 -20.869 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 3.241 3.194 4.772 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 4.125 15.325 5.041 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 3.302 0.916 9.398 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 -16.900 -13.178 27.654 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 1.185 -0.373 3.303 1.00 0.00 SBOX O ATOM 1502 P URA A 54 -3.246 1.098 0.649 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 0.490 0.595 -2.365 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 2.385 1.788 -4.239 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 -7.627 -7.335 1.774 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 7.265 0.262 -1.704 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 -12.618 -13.758 4.315 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 -2.367 -8.893 -8.234 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 3.705 -2.505 7.278 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 -28.783 23.887 -12.327 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 0.001 -2.470 3.053 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 3.486 -0.497 7.340 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 -30.563 18.708 19.170 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 -3.625 1.184 -3.015 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 -6.914 11.444 0.629 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 0.776 -13.316 -34.279 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 -2.631 -1.424 -4.192 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 -5.870 -1.083 2.087 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 -1.310 3.292 -3.858 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 -1.029 -8.417 8.599 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 -6.240 4.535 -0.836 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 -14.642 6.270 6.894 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 -5.063 2.076 2.265 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 -3.130 -0.355 3.981 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 -7.276 4.970 -6.866 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 8.589 17.386 -31.874 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 -4.800 7.359 0.601 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 -8.327 11.081 -18.565 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 0.789 9.871 -1.809 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 -2.959 1.853 -7.936 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 2.444 -2.956 4.937 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 -0.592 -3.723 -0.213 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 2.111 -1.830 1.397 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 -0.855 -3.541 -2.084 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 -4.847 -6.674 6.315 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 -1.567 2.470 0.253 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 -6.604 10.885 -20.203 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 10.806 -33.536 4.706 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 -5.675 3.216 1.679 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 3.069 -4.081 -0.574 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 -3.506 0.779 0.092 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 4.330 3.887 4.209 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 0.066 1.902 4.507 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 4.052 9.212 -4.318 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 1.177 -1.582 3.957 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 1.154 5.456 14.743 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 -2.223 0.429 -0.149 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 4.102 0.530 -3.516 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 -3.892 -4.295 0.424 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 5.593 0.565 0.100 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 6.389 2.075 1.124 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 -0.589 4.453 5.853 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 -0.322 3.481 5.742 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 -1.162 -3.020 -2.101 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 13.725 -6.703 9.315 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 19.973 -22.760 -8.684 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 1.983 -0.568 3.289 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 -6.321 -0.598 -7.242 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 -3.796 -0.852 1.123 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 8.243 3.543 -8.428 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 3.458 5.965 -4.583 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 -2.642 6.069 -14.830 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 1.996 -3.868 2.799 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 -6.202 -14.922 -8.038 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 -7.135 2.833 -2.258 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 0.212 1.035 -1.102 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 1.024 0.823 -3.019 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 -0.042 2.593 1.767 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 -2.289 0.771 5.710 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 4.865 3.249 8.403 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 -1.584 -11.672 21.216 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 -3.608 20.870 -5.501 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 -0.680 -1.330 -0.100 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 2.403 10.604 -0.970 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 1.053 -1.710 -6.936 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 -0.850 10.480 5.658 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 -12.856 3.677 -0.337 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 -12.757 -2.739 1.609 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 -6.130 0.202 -4.101 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 12.549 -3.064 8.163 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 0.357 4.250 1.558 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 3.706 10.123 2.694 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 5.127 3.186 9.147 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 2.104 3.380 2.130 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 0.379 8.173 -1.889 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 21.494 -11.710 13.593 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 0.309 6.441 0.714 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 2.974 3.403 2.093 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 15.160 1.300 -8.416 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 0.490 6.949 9.994 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 2.056 3.309 -4.217 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 2.738 -0.625 -2.641 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 -3.238 -1.342 5.104 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 2.770 -5.582 -1.186 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 1.638 3.322 0.896 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 -5.260 19.341 -10.427 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 -5.534 -2.161 -1.762 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 9.571 -19.621 -12.593 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 7.006 -1.226 2.395 1.00 0.00 SBOX O ATOM 1600 P URA A 57 7.005 1.489 -0.530 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 1.195 8.154 1.585 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 -2.540 11.517 -0.131 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 6.043 -8.219 -2.401 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 -1.079 0.229 -0.265 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 14.896 4.017 36.222 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 12.147 -21.086 -10.065 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 -7.936 2.516 2.801 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 -2.739 25.183 -0.262 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 -2.297 0.890 0.264 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 13.790 2.123 3.001 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 2.442 -4.433 -0.226 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 1.655 4.698 -1.325 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 -3.101 -3.151 -9.226 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 18.493 -12.596 0.302 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 5.688 6.021 4.651 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 23.450 9.352 -1.774 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 -4.581 11.350 3.556 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 2.163 4.477 -1.624 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 -2.439 -0.052 -6.882 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 0.167 -7.708 -22.222 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 1.639 -4.299 11.052 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 2.679 -9.378 7.276 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 -1.768 4.553 6.214 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 8.534 38.987 6.299 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 -4.102 -5.014 -5.055 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 -32.351 12.032 1.121 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 -7.829 -1.689 -4.733 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 -11.287 1.040 -15.098 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 -1.501 -2.858 1.152 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 0.197 -1.114 -4.464 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 4.942 -0.499 -0.267 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 5.159 2.490 2.292 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 1.364 -1.472 3.358 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 8.214 2.632 -1.090 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 14.185 -18.433 -2.893 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 1.826 7.188 -20.357 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 3.348 0.160 -10.023 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 -20.725 5.098 -6.147 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 6.659 -0.778 3.051 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 -4.003 -0.719 3.484 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 3.233 -12.596 3.669 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 -1.499 -1.102 -2.207 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 -7.838 -2.247 0.944 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 -9.635 19.050 -4.042 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 8.611 -0.634 2.352 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 -3.416 11.664 3.961 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 3.702 0.974 3.064 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 -7.435 2.844 -0.065 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 -2.125 -0.957 -2.069 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 -5.437 5.934 10.367 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 -6.274 2.910 2.987 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 -8.863 -3.694 -1.680 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 11.162 25.464 13.273 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 -29.693 -6.961 -17.706 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 -7.190 5.689 -2.673 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 -0.304 3.085 0.276 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 -3.268 4.888 -5.007 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 12.340 -0.647 -10.404 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 4.307 4.354 8.439 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 8.366 9.231 7.680 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 -0.165 1.513 -4.439 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 -11.858 -2.092 -21.338 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 5.436 -2.497 5.798 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 -1.917 -4.380 -2.629 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 8.621 -4.457 0.637 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 5.029 3.147 1.164 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 -13.641 7.913 3.452 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 -1.168 -0.569 -4.191 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 15.961 7.750 1.535 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 -3.154 -2.111 -3.247 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 -7.584 12.480 -1.950 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 -1.100 7.918 -12.541 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 1.665 -0.090 -4.953 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 4.845 -7.075 -10.517 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 3.813 -13.944 -11.955 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 -4.790 -0.539 2.466 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 -0.997 8.045 -4.881 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 13.522 34.383 43.175 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 3.774 -1.177 -1.442 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 8.342 -13.535 -9.577 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 5.227 -2.030 2.286 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 -5.292 -3.832 -3.156 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 -9.993 -13.447 -11.198 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 1.077 -28.616 -20.223 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 -11.302 2.922 4.254 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 -1.264 3.374 -4.615 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 3.472 9.068 0.916 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 -3.943 -1.133 -5.464 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 -1.560 -1.192 11.925 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 3.506 -8.323 11.929 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 -1.989 -19.017 2.122 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 -0.004 -1.453 -2.761 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 4.138 3.666 -8.734 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 -3.316 -4.112 -0.876 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 -1.220 -3.598 -1.099 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 1.344 -3.455 -1.385 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 4.042 0.795 -2.335 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 -7.848 -1.625 2.438 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 -1.778 3.204 -1.588 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 13.894 9.663 7.683 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 -26.972 2.846 -9.853 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 4.353 -3.258 3.282 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 2.412 1.637 -2.623 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 -1.903 2.849 10.649 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 -3.427 -2.534 -6.238 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 0.332 3.477 1.323 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 7.181 -4.566 0.603 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 -3.908 -2.016 2.878 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 26.090 12.308 10.664 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 -4.252 -2.090 8.415 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 2.475 12.551 -0.566 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 -1.429 5.849 1.584 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 2.336 8.445 2.222 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 8.864 9.205 -12.515 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 8.836 -6.842 -13.891 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 2.139 0.265 2.592 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 1.864 5.080 -8.479 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 -5.452 0.398 -0.154 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 -7.131 -2.079 2.068 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 -2.739 -10.961 18.238 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 -2.577 -4.638 -2.130 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 -3.672 -6.073 -6.054 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 1.672 3.698 -0.192 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 -3.142 2.072 -0.240 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 1.275 -3.872 -7.257 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 -0.545 -3.916 1.005 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 6.616 -6.088 -0.839 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 8.618 2.393 0.312 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 -0.688 2.435 -4.419 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 -0.430 -8.412 -2.536 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 -30.047 2.856 -26.372 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 -2.749 20.014 30.717 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 3.907 -1.344 -2.992 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 4.626 11.663 7.893 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 -3.024 -1.618 -0.408 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 6.042 6.783 4.560 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 -11.209 28.353 22.800 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 2.184 -1.148 0.057 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 -9.087 0.039 -2.189 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 15.165 -10.686 1.029 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 -9.685 -2.865 1.052 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 2.864 -3.271 -8.527 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 -8.401 2.839 -2.304 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 4.029 -4.830 1.050 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 11.221 3.556 -2.974 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 -0.569 1.919 0.799 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 3.520 -2.328 -4.111 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 0.172 -2.990 -0.160 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 3.303 -6.893 -1.156 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 5.565 2.734 0.588 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 0.468 -0.445 -3.063 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 -0.905 -5.848 4.178 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 15.182 -2.161 -15.306 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 -2.808 7.448 -5.720 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 -22.932 -1.611 -14.272 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 2.400 -1.440 12.970 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 -7.328 12.053 5.362 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 4.697 0.132 -5.182 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 2.333 -5.159 -0.087 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 0.025 -4.051 -9.250 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 6.969 1.014 -5.362 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 -4.727 -7.307 -5.895 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 -2.581 -4.114 3.469 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 8.698 4.087 6.109 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 -5.387 -18.195 -8.537 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 -0.952 -7.257 11.951 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 4.141 -8.154 4.667 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 -2.115 -5.839 -3.672 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 -5.246 4.121 -6.109 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 -8.263 21.951 -10.651 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 7.449 -1.013 4.578 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 -2.366 3.521 -4.419 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 7.091 -10.643 8.452 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 -2.794 -3.506 0.958 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 2.420 0.844 -3.509 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 5.077 1.148 1.768 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 10.940 2.178 -0.278 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 1.783 -7.995 -12.625 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 -15.158 -15.452 2.574 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 1.260 -3.113 -0.315 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 6.786 11.714 5.815 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 -13.422 -25.200 35.990 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 -4.039 -3.544 8.429 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 -1.369 0.405 -0.806 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 5.666 0.039 2.828 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 -12.678 17.147 8.212 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 -7.118 -3.782 3.228 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 11.087 0.622 -28.271 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 0.273 0.952 -3.939 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 5.823 1.725 1.962 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 -4.430 3.439 0.883 1.00 0.00 SBOX O ATOM 1792 P URA A 63 -0.001 2.941 -1.313 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 3.300 3.604 -3.633 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 0.783 5.218 -1.615 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 2.035 3.522 -4.858 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 -4.585 0.759 7.224 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 -4.643 8.073 9.467 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 3.797 -0.607 -23.939 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 -1.592 -0.955 -9.224 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 17.222 -5.832 25.998 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 -3.392 2.665 1.157 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 3.667 6.165 5.708 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 15.666 40.529 16.845 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 -1.783 -0.283 1.877 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 0.512 -2.500 11.057 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 17.960 -3.044 22.235 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 3.256 -4.586 -2.865 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 3.367 -1.866 -2.357 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 -5.454 -1.413 -8.116 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 -3.348 9.312 3.466 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 0.715 2.839 2.390 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 -1.512 -0.307 -5.845 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 3.398 8.769 -3.780 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 3.845 7.571 -0.525 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 -7.532 -0.998 -2.276 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 -6.686 -19.340 -41.316 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 -4.815 1.940 2.703 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 17.073 -18.225 12.759 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 0.812 -5.130 -2.469 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 -12.317 12.039 -39.677 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 1.290 5.970 1.148 1.00 0.00 SBOX O ATOM 1822 P URA A 64 -0.932 -5.707 -3.298 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 -4.788 3.365 -4.465 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 -5.037 -4.471 2.286 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 4.855 6.374 -3.917 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 -4.891 7.404 4.461 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 -0.041 12.891 -9.601 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 -14.458 -16.048 5.730 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 0.390 4.669 -1.046 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 -4.183 12.849 14.358 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 -10.413 -3.923 -0.708 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 3.543 5.651 1.857 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 11.608 -7.772 -2.777 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 2.865 -0.982 2.112 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 0.079 1.396 0.735 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 18.708 11.013 -28.488 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 -1.262 -6.720 0.152 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 -9.393 14.092 -5.643 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 -0.774 1.995 -3.074 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 1.486 0.545 -2.903 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 -7.610 3.343 9.562 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 -5.053 -5.926 -12.124 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 7.521 -1.206 -3.388 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 -5.207 1.735 1.772 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 -2.315 -2.152 3.579 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 -6.307 2.602 3.786 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 2.024 2.850 -1.633 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 13.580 1.049 27.541 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 -6.055 -9.398 4.481 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 11.936 -21.105 -13.286 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 0.218 -1.294 1.016 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 1.955 3.905 3.077 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 3.898 -5.139 1.857 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 -1.565 -1.218 2.534 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 -2.679 3.341 1.228 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 4.507 8.562 1.474 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 -20.685 -0.668 7.321 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 -22.172 17.336 -21.596 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 2.910 -8.357 1.382 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 1.679 14.784 -6.756 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 -0.991 -2.559 -1.494 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 -1.665 -2.326 0.490 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 -12.573 21.655 -2.261 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 4.062 -5.069 -4.528 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 -3.673 9.776 -2.360 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 -0.197 10.742 0.360 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 -2.493 -3.294 -3.162 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 14.212 -15.890 -2.662 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 5.748 14.758 6.167 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 -7.547 -10.014 -3.314 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 14.576 12.046 -5.750 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 13.995 -10.734 -17.559 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 -2.099 -2.334 -3.171 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 -2.236 -2.646 2.535 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 -2.128 1.189 -2.415 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 -4.428 -3.061 0.315 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 6.081 -32.345 1.213 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 6.925 1.471 -4.264 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 -14.248 -14.670 9.484 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 -2.573 4.093 -3.682 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 -6.073 -19.939 -3.355 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 7.870 -0.527 -2.995 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 4.316 0.889 -4.996 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 -2.518 -4.670 -0.076 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 1.084 -3.667 0.965 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 -7.352 4.494 12.835 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 -0.719 -2.771 -0.457 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 15.947 -5.341 -10.653 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 3.715 -5.932 4.893 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 2.730 -1.330 -5.582 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 -9.580 10.320 1.539 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 6.565 10.428 -2.043 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 -4.079 -10.333 2.440 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 -2.623 -2.209 -0.960 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 3.275 -2.939 -0.026 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 2.894 -1.571 -0.294 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 1.789 14.880 -16.162 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 -2.857 4.834 1.183 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 -20.702 1.961 5.993 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 7.522 2.232 -4.533 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 3.537 1.182 -1.253 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 -3.039 3.534 -9.492 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 -17.513 -5.015 13.750 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 -2.831 4.083 -1.826 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 -1.265 1.974 -6.710 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 -0.559 -3.547 -5.228 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 3.555 1.493 1.364 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 10.992 2.067 -4.797 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 -6.480 5.316 2.693 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 -9.499 -0.043 2.963 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 4.649 -9.444 2.396 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 8.416 -9.254 6.607 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 3.940 2.521 -10.657 1.00 0.00 SBOX O ATOM 1914 P URA A 67 -2.204 -1.335 -2.712 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 -4.992 -2.513 2.583 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 1.646 2.394 -0.814 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 6.806 -3.834 2.411 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 -1.356 3.349 3.116 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 2.277 -26.803 -10.650 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 1.135 18.971 33.764 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 -0.612 1.522 2.512 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 5.605 4.313 -0.236 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 -0.527 -3.250 -3.463 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 9.330 -8.132 4.560 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 -8.828 13.518 -21.052 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 4.115 5.448 4.565 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 -12.718 0.159 -8.908 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 -11.120 -0.208 -2.262 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 2.587 6.471 -6.776 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 8.864 20.069 -13.430 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 -1.265 -8.722 -2.605 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 -0.753 -0.553 -0.421 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 -4.675 -3.865 1.968 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 9.602 -38.189 -16.446 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 3.417 -3.936 2.140 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 5.959 -0.280 2.588 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 -3.023 1.163 1.915 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 -0.793 2.343 3.037 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 -5.533 5.141 0.668 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 3.873 -1.437 2.009 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 -0.174 -1.813 -0.182 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 -14.553 -5.569 -7.072 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 5.638 -4.359 -2.965 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 -1.403 -5.372 -0.810 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 2.196 1.622 0.942 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 -0.174 -4.044 3.223 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 3.197 0.241 -0.366 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 0.105 12.712 2.732 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 6.799 18.869 -1.176 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 13.346 19.636 13.367 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 -3.221 -2.007 2.684 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 -17.881 -5.413 -6.713 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 -0.983 -6.849 6.662 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 -6.632 -6.154 -2.507 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 -6.726 4.032 1.775 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 3.591 1.880 -2.625 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 3.743 -5.862 4.155 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 2.280 -3.805 -8.619 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 6.409 -3.621 -1.372 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 1.447 0.826 5.146 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 4.619 -0.538 -0.574 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 -1.155 2.390 1.219 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 1.825 12.647 -1.206 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 14.010 11.119 -10.400 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 -2.282 -0.669 -10.151 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 -2.273 3.829 0.226 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 -0.875 -5.724 16.906 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 -4.165 3.591 31.741 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 -2.015 0.452 2.905 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 9.212 -8.816 -0.508 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 0.443 14.401 2.652 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 -0.550 -2.226 17.073 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 -3.294 5.281 -5.575 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 15.710 -25.425 4.622 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 4.752 -1.674 -0.049 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 13.030 -8.415 -12.995 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 2.221 3.009 -1.713 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 -1.584 -0.410 3.298 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 -7.100 0.064 3.600 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 3.727 -0.347 6.597 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 -4.204 -4.805 -6.554 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 -5.616 1.816 1.178 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 -0.508 -3.177 -5.805 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 23.226 25.660 -10.725 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 4.706 -1.857 -4.161 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 1.929 5.050 0.009 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 -5.243 -1.560 -4.781 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 0.998 -0.762 -0.112 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 3.204 5.519 -3.546 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 -1.884 -7.360 -0.589 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 -1.132 -0.596 7.991 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 11.577 18.854 18.841 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 -0.251 -12.706 -4.445 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 36.056 12.996 0.045 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 3.394 2.684 0.722 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 -1.499 2.469 2.708 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 1.457 -19.087 11.653 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 3.694 -10.578 -0.033 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 -2.553 7.865 0.068 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 -3.780 1.106 -2.319 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 5.256 -2.750 2.529 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 0.108 8.005 -0.333 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 5.794 -36.180 5.738 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 -1.975 -1.716 -2.058 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 7.909 -22.179 -2.747 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 3.091 1.648 -5.617 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 5.386 6.998 -5.576 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 -3.681 1.471 -0.555 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 -0.121 -0.974 2.598 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 2.876 -2.611 2.586 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 6.444 -5.734 1.112 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 -5.214 -2.237 9.516 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 -1.381 -0.343 -2.689 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 -8.426 -3.042 10.249 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 11.472 0.196 -3.927 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 -0.642 1.899 -1.841 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 -3.257 -1.074 -2.977 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 1.705 5.443 -4.026 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 -2.306 -2.097 5.096 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 9.170 14.006 -0.734 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 2.235 -4.265 2.848 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 -4.946 -5.155 -0.965 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 -8.925 -15.790 -1.292 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 1.503 2.438 0.034 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 -3.515 4.466 2.925 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 1.658 -2.771 -2.186 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 0.143 2.235 3.843 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 9.803 14.441 -1.929 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 10.845 20.847 17.977 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 1.769 12.115 -1.729 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 -9.614 2.754 4.175 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 0.227 11.956 20.338 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 -9.534 0.554 8.774 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 -6.664 1.033 11.589 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 -1.934 -3.023 -5.001 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 -17.606 -20.112 -5.463 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 -8.105 -2.557 -1.969 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 -23.578 3.570 37.820 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 -9.328 -4.682 2.945 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 -5.622 3.680 9.057 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 1.302 -3.959 5.836 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 -2.703 2.314 0.225 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 -6.262 -8.675 3.073 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 3.139 -0.206 9.476 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 -4.419 -8.351 -4.359 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 0.816 5.931 -5.904 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 -7.214 7.442 -0.217 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 -26.995 4.755 -12.289 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 2.836 -8.506 6.568 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 -0.992 12.047 11.921 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 2.044 -2.131 -5.598 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 8.138 -0.784 1.731 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 7.562 10.292 -13.575 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 -9.579 0.511 -0.961 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 -0.187 -0.076 4.204 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 1.140 -1.548 -1.969 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 -0.674 -4.960 -4.111 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 5.450 2.560 -5.645 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 3.720 2.059 -5.545 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 1.521 0.923 2.795 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 -1.117 0.667 -0.079 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 -1.874 -19.423 -13.555 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 0.861 -2.538 5.675 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 -3.211 3.348 -6.136 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 -10.961 -12.674 -10.196 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 12.709 -8.246 -5.123 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 -2.667 5.016 -1.295 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 -7.392 9.972 1.316 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 5.424 -2.229 -7.461 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 9.139 9.182 -5.971 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 -5.498 4.120 -0.370 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 9.740 3.758 -7.708 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 -3.797 -2.311 3.955 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 -5.814 -6.135 3.776 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 -1.859 5.652 -3.518 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 0.732 3.133 -4.195 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 -0.676 0.513 -0.989 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 3.383 3.754 -4.026 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 0.369 1.443 4.178 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 0.266 -0.051 -5.619 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 -7.699 1.159 -4.684 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 -9.660 3.498 -16.106 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 2.507 5.725 -3.273 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 -0.767 17.327 -8.707 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 -2.563 -5.182 6.248 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 1.424 -1.290 7.550 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 12.721 5.989 14.878 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 -6.046 0.114 2.441 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 3.813 -2.277 3.283 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 -14.160 -3.878 10.784 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 2.752 0.978 -10.189 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 -1.975 -11.668 17.062 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 -7.612 -8.691 -5.643 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 3.801 -4.659 -7.794 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 4.223 20.711 14.011 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 8.943 -9.058 27.003 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 2.380 5.738 -1.401 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 -2.494 7.658 -1.717 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 -1.390 4.718 -5.172 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 10.446 9.439 7.303 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 -10.433 -30.170 -9.997 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 -7.073 -0.344 0.688 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 -33.862 -28.512 2.652 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 -0.678 -4.441 -1.309 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 -9.884 -2.957 -3.473 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 4.591 -2.242 -0.839 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 -4.481 3.454 -2.811 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 11.570 -1.120 1.865 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 -2.549 -1.532 3.376 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 2.909 4.229 -6.700 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 9.920 -2.290 -9.691 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 24.042 -0.298 -7.455 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 3.043 0.194 4.837 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 0.387 4.238 2.713 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 -8.029 -25.607 -25.459 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 -4.036 4.864 1.445 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 0.674 3.394 7.848 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 5.610 -0.646 -24.118 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 5.185 0.730 -10.566 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 4.205 5.955 -2.041 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 -5.256 7.600 0.150 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 -2.889 10.192 4.826 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 0.379 4.437 -8.677 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 4.721 1.368 -1.445 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 -4.586 -0.962 8.805 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 -4.253 4.629 -1.165 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 7.641 -7.075 -1.425 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 4.591 2.890 -8.604 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 0.465 -2.493 1.862 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 12.842 -22.343 -0.653 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 4.086 -8.230 -29.513 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 3.566 -2.060 -0.633 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 0.777 -6.731 -2.785 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 -3.015 9.195 -6.815 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 -8.149 -0.844 -18.315 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 -9.415 1.483 -4.705 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 -7.435 -20.751 2.867 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 3.278 -2.741 -5.048 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 -4.834 16.205 10.725 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 -1.305 1.854 -0.789 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 0.059 4.913 0.826 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 1.679 -4.039 -0.279 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 -4.749 4.421 6.064 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 -4.653 -4.531 -5.154 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 -2.553 3.387 3.484 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 -8.160 -9.210 27.952 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 -2.570 -5.930 0.003 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 -1.310 -4.796 -4.359 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 -14.050 -11.837 7.345 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 -2.702 0.217 2.660 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 9.980 2.242 -3.622 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 -9.686 -10.423 -14.001 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 0.144 -2.199 1.005 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 3.624 6.751 -2.639 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 -16.279 -2.845 -19.992 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 -3.467 -3.958 -6.646 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 2.646 -3.823 -0.996 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 -0.473 5.337 2.779 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 -3.150 -3.365 -12.455 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 0.681 -2.085 4.249 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 -20.500 5.998 -21.213 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 -7.148 1.891 -2.637 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 1.529 -3.680 -1.375 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 0.822 -8.381 -5.999 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 -3.097 17.997 25.579 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 9.473 -1.894 3.265 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 -0.907 3.196 3.691 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 -7.275 5.000 3.610 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 -5.001 -9.019 -11.695 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 -3.308 -4.066 5.627 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 -3.572 -16.765 13.517 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 1.219 -0.599 1.335 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 24.716 -2.326 21.721 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 0.047 -4.465 -2.810 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 0.825 -0.550 0.040 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 -1.466 0.427 -1.544 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 -3.563 1.238 -6.428 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 2.195 4.380 3.488 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 -4.758 1.729 1.057 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 3.759 0.718 20.990 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 22.828 -2.206 -10.566 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 -4.023 -3.264 0.977 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 5.170 7.384 -14.173 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 1.163 0.320 -3.123 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 -4.596 -1.636 -3.902 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 1.043 -9.972 4.518 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 3.615 4.875 -1.208 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 -3.374 0.713 3.072 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 6.056 -15.507 -5.034 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 2.189 -4.498 -2.942 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 3.496 0.070 -0.345 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 -2.158 -1.258 0.236 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 3.494 1.338 -0.310 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 33.270 0.331 -4.534 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 -8.206 -22.620 -19.639 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 -6.224 -1.720 4.727 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 2.222 -0.555 -0.268 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 5.444 -4.192 0.111 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 4.466 -1.088 -0.743 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 -0.775 -8.033 5.257 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 0.802 0.369 -1.530 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 -6.348 -2.427 -20.812 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 2.798 5.031 -11.182 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 -10.369 15.404 10.870 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 -4.754 -4.156 1.758 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 3.939 -5.362 -21.037 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 4.819 -5.988 1.588 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 -2.728 -2.833 4.496 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 -11.346 0.570 -0.254 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 0.788 1.986 4.796 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 -5.212 -1.223 -0.826 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 -2.881 1.944 5.808 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 2.380 6.726 -7.087 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 0.334 2.152 0.833 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 5.257 7.624 -1.891 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 11.541 -11.790 7.853 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 0.638 -2.293 6.183 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 -7.571 -0.278 1.448 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 1.529 2.436 -0.341 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 -1.268 -2.380 -6.773 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 -2.393 -5.235 -4.426 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 -11.872 5.826 16.733 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 -6.022 0.760 -0.899 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 1.608 3.458 -2.965 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 -8.896 -5.139 -1.313 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 0.371 0.115 -0.688 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 -3.933 -18.290 -15.635 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 -28.486 9.328 6.170 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 -2.796 -1.883 -4.518 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 -0.145 -1.709 -6.186 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 -12.482 -6.665 -6.290 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 5.106 1.132 3.790 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 -0.988 -0.221 -1.309 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 0.175 -7.894 0.304 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 26.873 9.907 9.733 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 -2.588 7.786 -0.504 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 -9.001 -2.239 3.852 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 -0.148 -0.520 0.122 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 -2.876 2.509 -9.687 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 4.270 0.319 1.237 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 3.518 -0.180 1.445 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 1.432 -2.813 0.317 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 1.120 -1.526 -3.161 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 -0.335 2.396 1.047 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 7.203 1.726 -1.243 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 14.668 -11.860 23.346 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 6.037 4.419 -3.734 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 1.410 -3.209 -4.054 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 4.724 15.636 3.866 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 3.256 -1.184 -3.219 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 -10.904 4.493 -3.760 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 9.181 6.170 -15.352 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 -5.299 0.031 2.198 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 -5.569 -8.603 2.615 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 -8.677 -10.031 12.943 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 2.124 2.358 -0.399 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 -4.031 -7.630 -7.083 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 -2.268 -7.045 -0.388 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 -1.017 10.317 8.282 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 10.292 -22.509 8.143 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 30.935 -13.374 -13.435 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 -9.738 1.680 4.288 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 4.318 0.711 1.678 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 5.758 -5.908 0.323 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 4.749 -0.971 7.019 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 0.323 1.251 -5.489 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 -2.073 -0.637 3.892 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 0.829 0.478 3.389 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 -4.470 -2.758 7.303 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 -22.068 -14.542 -6.736 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 -7.210 -1.423 -3.541 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 10.436 -2.126 -16.282 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 0.810 1.152 7.497 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 4.361 0.719 5.777 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 0.371 2.130 -1.223 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 -0.875 0.771 3.293 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 5.498 -4.126 -3.442 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 -0.823 6.087 -3.633 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 -16.052 -12.070 -0.248 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 -19.025 7.042 12.971 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 -5.837 -5.409 8.654 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 -7.369 -28.934 1.456 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 -1.353 0.205 -5.608 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 2.550 1.049 -2.505 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 1.997 5.013 -18.159 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 4.336 2.921 6.616 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 3.941 4.477 9.382 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 27.917 -2.854 19.924 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 -4.405 9.517 -2.636 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 -7.945 20.654 5.903 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 2.224 -4.926 7.469 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 0.437 -1.132 -7.104 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 17.447 -14.611 -5.588 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 6.687 -13.609 -15.986 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 -4.812 -2.807 -0.861 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 -2.965 3.752 2.569 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 -3.842 0.075 -0.692 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 -3.056 3.599 -3.688 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 -16.567 -0.124 14.324 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 5.142 2.150 -7.387 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 34.154 -5.701 -5.187 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 4.044 -3.337 -1.992 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 17.517 -13.544 8.812 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 -0.824 -0.371 3.185 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 1.990 1.171 -1.056 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 -1.499 1.440 -2.367 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 5.405 -0.040 0.664 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 -6.443 2.735 -10.723 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 4.458 5.979 2.476 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 -13.052 9.490 6.132 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 -2.713 1.940 8.102 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 -7.683 -3.665 -5.126 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 -13.393 -4.124 20.119 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 2.891 -1.265 1.378 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 -4.452 0.049 -1.427 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 -26.771 13.075 4.462 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 -1.028 2.229 5.219 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 -3.777 -11.867 4.480 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 -10.436 -5.883 8.313 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 8.180 -0.503 1.798 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 -7.910 -11.844 -6.944 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 -2.729 -0.045 1.711 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 -3.023 3.141 -6.017 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 0.203 -5.613 -2.103 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 21.472 13.518 -0.434 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 1.706 1.075 5.682 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 2.475 3.770 3.694 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 -29.833 -23.377 12.335 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 7.061 31.193 -45.714 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 -3.328 1.652 5.192 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 -1.132 4.735 0.200 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 -4.703 2.396 -2.188 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 -2.749 12.021 -12.405 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 -4.479 -6.658 -5.142 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 -4.900 -13.652 -4.351 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 5.328 -1.609 -2.220 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 15.131 10.503 14.583 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 -4.094 -0.989 0.449 1.00 0.00 SBOX O ATOM 2339 P URA A 80 -2.898 1.458 1.936 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 3.968 -7.683 -0.636 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 -4.343 3.603 5.048 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 -0.814 -2.088 -1.887 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 6.950 0.236 0.115 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 -1.248 6.194 3.055 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 -1.120 -9.982 12.547 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 -4.628 3.957 -0.135 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 -26.042 21.695 -14.011 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 -1.202 0.625 0.323 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 -2.932 2.029 3.109 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 40.369 -6.476 -11.241 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 2.731 -3.353 -0.913 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 -5.018 2.298 -4.649 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 15.279 11.578 -32.787 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 -0.455 10.128 -9.239 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 -18.816 14.181 -9.778 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 -3.419 1.994 -10.178 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 3.781 -4.343 -2.490 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 -1.570 4.544 -5.080 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 4.241 18.072 14.204 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 -0.823 0.440 0.262 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 2.654 -3.760 0.826 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 0.929 1.523 4.440 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 -25.217 39.192 18.982 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 0.506 3.581 4.113 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 9.249 -4.315 -7.179 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 1.931 -2.347 -0.674 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 -46.839 -26.491 37.966 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 -1.471 -3.565 -6.707 1.00 0.00 SBOX O ATOM 2369 P URA A 81 4.202 3.604 4.310 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 -4.795 -5.400 -1.916 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 -5.666 -9.194 2.659 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 1.393 5.107 6.263 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 3.522 3.387 -5.686 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 -6.792 25.754 -12.344 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 -25.973 -21.608 2.180 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 0.953 0.005 -0.775 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 -22.903 25.816 -2.346 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 3.189 5.050 -2.331 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 -1.741 2.887 0.296 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 -0.366 5.013 13.907 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 -2.256 -7.153 2.007 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 6.261 4.467 15.516 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 -5.815 -22.918 -54.035 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 -3.356 -0.646 -8.286 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 -18.990 3.636 -1.505 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 -0.129 5.903 9.879 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 6.416 -7.029 3.755 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 -0.618 2.043 3.758 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 -5.170 -14.695 -7.322 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 -1.658 4.978 -7.467 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 5.239 7.276 1.378 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 3.891 -0.150 4.518 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 -19.984 12.621 0.233 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 2.456 6.316 -6.019 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 -2.604 12.732 9.278 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 5.462 5.257 7.229 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 5.162 9.944 6.898 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 1.538 -2.333 2.898 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 0.881 -2.127 0.262 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 0.056 6.214 -0.159 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 -5.614 8.107 5.357 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 6.159 2.152 1.407 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 -2.877 -1.579 -0.550 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 -3.946 -4.634 21.188 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 -21.873 -23.281 5.199 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 -1.693 0.150 1.190 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 -14.081 5.778 4.511 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 -1.183 -3.676 -4.482 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 -6.817 4.566 -1.165 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 -46.938 -8.939 6.707 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 7.480 -0.745 11.066 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 10.266 -5.948 0.996 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 11.877 13.192 -25.877 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 -1.375 4.015 -1.588 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 2.115 -3.051 4.418 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 -2.734 0.982 -6.755 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 -0.153 -3.426 -8.652 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 1.232 0.151 6.959 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 4.904 40.350 7.047 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 4.804 0.920 4.440 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 -3.093 -3.922 -1.724 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 5.124 -20.725 7.877 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 7.043 -13.505 -7.172 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 4.030 -1.290 2.493 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 -0.512 4.155 -5.822 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 -8.931 -0.657 0.926 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 -0.369 -25.616 -36.265 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 -2.688 -1.859 0.110 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 0.368 -3.443 4.354 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 1.260 -1.350 4.975 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 -14.444 19.398 -6.342 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 -2.946 -8.560 -1.173 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 4.095 -0.599 -3.856 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 -6.810 12.264 -0.019 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 -4.911 -11.256 4.299 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 3.384 4.151 5.384 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 -0.740 2.504 -1.630 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 14.658 -18.044 7.343 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 -9.572 -5.478 -6.408 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 -1.019 -0.450 1.680 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 27.029 10.033 8.989 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 -7.315 -1.997 -1.448 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 -6.835 2.081 -9.847 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 18.521 -1.442 22.694 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 -4.259 1.679 -5.317 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 4.827 6.638 -6.503 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 7.354 -4.809 -0.383 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 -3.900 -7.462 -2.187 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 -4.175 -0.223 -4.780 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 1.662 -4.822 3.466 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 2.502 -9.083 -4.972 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 9.459 -13.565 3.022 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 11.903 4.124 -13.836 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 -7.991 -0.404 1.438 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 -6.190 8.649 1.531 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 -4.831 16.341 -19.517 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 6.208 -1.758 3.376 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 1.007 -2.709 1.165 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 -2.359 -2.244 -3.574 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 2.151 0.481 -0.117 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 -2.440 3.951 0.766 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 29.605 -24.588 3.449 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 -2.486 -4.542 -7.059 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 0.617 12.901 -6.888 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 8.010 3.769 3.702 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 1.112 1.770 7.005 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 5.424 -0.179 3.228 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 2.925 1.243 0.500 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 -2.077 4.031 -8.650 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 -9.078 -8.906 -5.933 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 7.356 -12.815 2.626 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 -1.551 -25.673 -7.084 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 -1.180 0.765 5.116 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 10.909 15.592 23.903 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 1.630 -11.617 7.323 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 -3.965 2.113 -6.780 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 35.682 -6.921 11.159 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 -4.176 -6.147 -5.227 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 4.945 -8.081 -3.447 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 -15.593 2.372 -3.209 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 1.373 1.096 -0.568 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 -3.842 -6.098 3.975 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 1.522 -3.910 -2.228 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 6.684 0.842 3.781 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 5.670 -2.727 1.991 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 9.954 -2.771 6.733 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 -3.332 3.421 -3.530 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 2.593 7.206 -0.702 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 18.495 -2.358 8.116 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 -7.963 -0.173 7.354 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 3.289 -1.970 -8.304 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 1.052 -2.822 2.841 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 17.437 11.358 -2.821 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 -7.245 5.375 -2.555 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 -16.571 -0.828 -19.932 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 -1.350 -3.514 2.556 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 22.552 0.477 8.586 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 1.675 7.682 3.547 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 -0.318 -0.730 3.102 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 -3.514 -1.567 -1.932 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 -6.962 -1.179 -2.005 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 -2.161 0.521 2.786 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 3.709 1.654 0.227 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 -9.313 1.294 -13.746 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 -0.732 16.636 -4.477 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 -6.352 -1.022 3.391 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 4.121 21.405 6.476 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 -2.986 12.426 6.866 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 -3.712 3.340 0.641 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 26.709 10.086 -5.550 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 -0.499 -5.970 -1.429 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 -7.908 -1.369 -0.401 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 1.454 5.678 -3.450 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 -3.425 -7.366 2.511 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 -7.497 1.054 1.313 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 -10.959 -5.475 -2.390 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 1.695 -3.775 -4.216 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 -6.004 -25.866 -8.955 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 -34.143 -20.061 -22.767 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 -0.907 4.625 -1.905 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 -9.397 1.125 -2.031 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 3.665 29.930 24.435 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 3.119 -5.765 -9.508 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 5.588 2.720 -6.258 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 -1.793 -4.561 4.836 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 -2.021 15.513 -2.401 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 3.972 -6.856 -4.450 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 20.275 1.984 5.707 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 -2.149 1.776 2.327 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 15.035 -18.118 -20.456 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 8.749 11.311 3.164 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 -3.611 1.479 -3.725 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 -1.935 -1.360 2.105 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 0.035 2.011 6.235 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 -2.919 -2.775 1.619 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 -7.065 6.644 2.028 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 14.095 -10.432 29.578 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 0.320 -0.259 -1.550 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 6.844 4.184 4.273 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 -6.702 4.149 -1.493 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 -0.975 6.134 2.020 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 -9.814 4.517 -3.389 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 0.784 -3.243 -8.793 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 -4.074 3.581 -6.607 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 0.365 -0.405 -0.440 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 9.955 26.541 -12.546 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 0.797 -0.523 7.056 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 3.128 -5.103 -0.194 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 8.296 4.614 -0.072 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 6.828 -4.711 3.643 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 7.863 2.503 7.095 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 4.461 -5.164 -0.350 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 4.350 1.586 -3.732 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 4.775 -2.518 -4.646 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 13.060 14.439 15.551 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 22.565 9.964 12.710 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 -0.837 -5.659 -3.901 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 13.674 -4.539 2.680 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 -5.210 -8.063 -9.311 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 -5.836 23.448 -4.188 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 2.502 -8.756 9.002 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 15.763 33.238 -24.405 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 3.174 0.858 -2.680 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 9.842 6.150 -16.813 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 -2.662 -0.910 3.510 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 4.236 -3.775 -3.951 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 -5.612 -2.639 0.988 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 -4.054 -4.546 -1.168 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 -3.438 -0.333 6.529 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 0.622 -3.726 -6.924 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 11.731 11.288 -17.122 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 4.763 -8.202 -6.563 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 3.495 2.610 0.180 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 2.477 -7.435 -5.841 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 3.150 -1.404 -4.334 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 2.254 3.775 6.231 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 1.951 3.884 7.689 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 7.095 4.069 -2.817 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 5.825 -1.585 7.772 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 15.822 15.137 18.610 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 2.977 -0.589 -3.544 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 3.755 1.497 -7.811 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 -2.769 -4.944 -5.373 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 2.427 -0.014 -1.703 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 7.388 -15.545 2.597 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 13.280 11.709 -5.505 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 -2.876 5.223 6.209 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 -1.124 3.076 -3.314 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 -9.700 11.680 50.672 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 -5.501 -0.557 -2.922 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 -4.934 5.768 -4.339 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 5.003 -0.558 -0.815 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 16.387 17.532 4.261 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 -6.562 0.482 -1.778 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 4.508 14.021 -0.259 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 1.422 2.555 -6.850 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 0.481 -7.475 4.596 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 -4.807 3.978 2.944 1.00 0.00 SBOX O ATOM 2599 P URA A 88 -7.279 -1.718 4.422 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 -1.352 6.313 -0.476 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 7.338 3.800 -3.088 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 4.489 8.171 1.308 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 -5.249 10.960 2.341 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 7.710 26.158 -1.730 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 -9.405 12.869 5.655 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 5.705 -5.742 -8.094 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 -2.835 -9.711 -2.030 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 -3.048 1.572 4.812 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 2.241 -3.508 -0.833 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 2.279 2.607 -0.411 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 5.152 -0.709 -3.527 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 -9.467 6.780 0.058 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 -10.178 -4.353 -5.327 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 5.451 -5.345 6.495 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 -1.999 4.079 -22.656 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 -3.509 -4.068 5.550 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 3.531 -0.486 1.886 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 8.324 2.436 -1.327 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 -0.175 -21.597 -12.622 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 -2.149 -1.879 -0.489 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 3.457 0.335 -0.376 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 -2.596 4.751 -2.501 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 -1.465 3.271 -6.821 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 4.851 -1.800 -1.436 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 20.031 -1.284 -2.548 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 0.018 -8.592 -4.179 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 11.267 -11.630 -4.571 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 0.318 -0.732 1.391 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 -0.540 -0.149 2.008 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 -2.512 3.216 7.164 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 -6.716 -2.425 6.683 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 -2.219 -3.945 1.805 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 2.639 -4.781 2.754 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 16.847 -35.456 -10.936 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 -8.056 2.961 -5.733 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 3.377 -7.648 -3.281 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 4.614 -2.257 1.234 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 -9.638 4.169 6.760 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 -1.524 0.782 5.516 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 0.396 1.070 -14.110 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 -0.284 4.908 -5.179 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 6.593 1.218 4.469 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 -3.764 9.185 11.088 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 -0.257 -2.603 -0.211 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 3.903 -1.985 4.949 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 -0.005 -2.588 2.171 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 1.794 -6.562 -5.297 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 -7.341 -4.193 0.854 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 27.454 -6.259 -5.781 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 0.702 -1.986 8.984 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 6.122 1.067 -3.235 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 -24.626 -4.113 -6.283 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 -10.360 -22.333 -10.463 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 -4.595 -1.435 0.976 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 -1.124 -8.591 6.275 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 1.200 1.841 -1.297 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 -8.510 -21.811 12.031 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 -3.480 -2.314 8.392 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 -16.336 7.268 16.057 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 -7.752 1.476 6.986 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 1.957 1.565 1.206 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 0.403 2.377 -2.745 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 -1.700 -0.406 1.052 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 4.250 2.376 2.176 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 7.439 3.402 -2.622 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 6.806 6.698 4.410 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 -5.111 0.405 1.640 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 -15.465 -5.953 14.439 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 -13.255 19.506 -33.653 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 -1.847 6.500 1.173 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 0.252 5.094 5.632 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 3.315 -6.218 -3.612 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 -3.594 4.341 1.872 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 -1.591 0.985 -5.632 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 -3.960 4.931 4.189 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 -3.112 0.835 -5.699 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 17.925 7.848 -0.907 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 -9.525 1.872 3.288 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 1.160 5.055 -2.854 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 -2.276 -0.270 4.494 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 -3.711 1.048 4.725 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 -0.699 2.118 6.774 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 -7.394 -7.759 -5.924 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 -1.208 10.576 4.658 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 2.133 5.525 -4.239 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 14.101 0.850 -6.000 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 -2.631 5.357 6.029 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 5.457 -5.463 -2.067 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 -3.043 -5.904 5.921 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 -4.369 -3.743 2.493 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 -1.138 -6.435 -6.220 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 -3.172 -19.481 -8.266 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 -5.117 -1.216 4.404 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 -5.674 -1.154 -0.952 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 0.096 2.261 -5.104 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 0.569 9.569 -0.128 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 0.276 -0.597 -9.524 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 -1.477 -1.835 -2.288 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 -4.479 -0.169 -5.760 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 -4.255 1.135 -4.836 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 -11.950 3.039 19.444 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 2.973 5.441 -10.084 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 1.362 -8.766 1.287 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 -8.707 -24.465 -11.415 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 5.245 7.209 -0.606 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 2.454 0.454 -3.850 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 -22.219 6.352 4.443 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 -5.743 3.489 -2.724 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 0.608 -1.499 -0.436 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 21.134 8.200 19.696 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 -0.830 2.196 -5.863 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 -5.226 2.918 2.554 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 -8.536 0.366 9.227 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 -2.972 -3.231 2.975 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 -0.819 0.947 3.106 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 0.664 15.762 -20.404 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 8.422 1.487 4.503 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 6.658 0.255 -2.104 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 23.064 4.272 2.397 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 2.049 1.824 -5.173 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 11.352 4.280 -3.460 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 6.353 -4.692 5.294 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 -3.614 6.092 2.665 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 -18.899 10.417 -4.362 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 0.985 3.688 5.398 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 -6.296 -34.516 14.083 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 -1.982 -2.097 -5.221 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 13.389 -8.062 -10.767 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 10.112 -5.146 2.227 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 0.215 1.570 -2.689 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 -2.273 0.458 -6.024 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 -0.070 7.257 0.397 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 5.217 -8.474 -1.838 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 -5.635 -1.691 -3.026 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 -27.955 14.108 3.445 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 -15.854 2.309 -6.421 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 -0.325 -0.556 -0.668 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 -2.912 -10.773 -5.432 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 4.577 -0.865 2.787 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 -6.782 -3.101 -2.458 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 -7.902 5.615 -32.787 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 -3.439 -3.498 -0.886 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 0.711 -2.608 -12.817 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 -7.050 -8.058 -14.465 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 -2.828 2.093 -4.158 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 -20.972 0.024 0.583 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 6.068 -7.189 -2.308 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 -9.770 -4.413 4.852 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 -15.036 -4.856 -0.559 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 28.572 21.536 20.036 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 1.306 -2.864 -0.137 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 -7.171 2.079 -0.213 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 -6.294 -1.293 5.873 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 -3.628 -0.523 -0.602 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 -5.224 32.063 32.100 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 0.317 3.644 4.667 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 -8.768 6.840 -10.720 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 0.025 -11.449 -0.443 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 31.516 -8.758 22.817 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 -2.877 -7.962 -11.132 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 3.645 -3.156 -0.892 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 0.761 4.140 0.311 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 4.095 2.217 -6.916 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 0.845 2.580 0.449 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 -4.033 -6.499 -1.092 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 -22.813 15.658 -16.329 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 -0.163 12.179 -5.640 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 -3.256 3.644 6.224 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 -8.357 -1.527 -12.685 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 -0.407 -3.436 2.597 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 -9.044 3.489 1.054 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 -5.737 -7.544 17.196 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 0.552 6.141 -7.445 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 6.375 1.522 -5.031 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 5.324 15.979 -8.866 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 2.015 -4.585 1.141 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 -0.700 -2.263 -6.944 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 -8.653 -8.650 -3.671 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 -1.090 -1.483 -3.778 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 -43.621 -16.783 2.997 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 11.482 0.917 5.238 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 6.646 7.325 4.191 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 1.589 -9.135 3.532 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 -7.394 -4.023 0.354 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 2.033 2.884 1.507 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 -0.356 1.117 -24.894 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 -12.739 1.803 6.869 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 -17.463 6.561 9.050 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 1.151 0.676 -5.508 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 2.320 12.842 -4.872 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 -0.910 -6.458 1.868 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 4.512 1.192 1.354 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 0.113 -7.583 -12.313 1.00 0.00 SBOX ATOM 2794 P ADE A 94 0.196 3.096 -0.136 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 -2.278 -2.030 3.195 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 -2.421 -3.126 2.768 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 -8.604 2.161 -0.793 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 1.765 6.912 1.983 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 -14.051 16.857 -16.045 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 -6.870 -16.102 5.112 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 -5.758 5.376 -7.536 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 2.720 13.510 1.605 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 3.575 -3.102 -0.479 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 6.032 -0.307 7.580 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 -25.111 -19.085 7.442 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 3.730 -8.687 10.222 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 5.140 6.271 4.273 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 -2.982 -1.155 2.178 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 -1.835 8.933 -2.831 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 2.251 -0.617 -3.967 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 4.636 -6.358 2.359 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 10.463 2.760 -1.536 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 -14.896 14.180 14.553 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 30.408 -20.594 11.242 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 -13.196 -2.733 -0.015 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 5.544 -0.040 1.660 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 -7.863 -3.437 0.177 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 -3.355 -1.922 -1.826 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 5.686 7.163 -3.363 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 -7.085 -1.208 -2.909 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 12.159 9.657 -1.356 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 -2.316 2.215 4.331 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 14.254 4.084 21.540 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 2.110 -1.341 -4.280 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 26.576 -2.709 6.315 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 -2.885 -3.867 -1.799 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 -4.578 -6.434 3.867 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 -2.364 -3.112 -4.195 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 -4.471 -1.761 -6.415 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 -8.847 -3.826 -5.121 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 38.021 22.270 -22.758 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 -0.859 -2.157 0.901 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 19.482 -23.498 -4.516 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 -24.459 17.039 -2.880 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 4.577 -6.723 0.862 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 -19.113 9.844 8.333 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 14.543 17.770 -9.318 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 3.890 0.424 -3.363 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 14.642 13.391 -0.365 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 26.248 11.693 -4.430 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 3.138 4.506 -1.941 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 4.172 0.737 7.148 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 -1.705 8.115 -7.781 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 0.877 4.243 -3.835 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 -3.447 6.203 -9.455 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 3.622 -1.674 -0.523 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 -1.556 -2.976 -2.507 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 2.906 7.714 6.144 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 20.845 4.040 -0.736 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 0.561 5.335 -1.183 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 -4.354 12.704 4.299 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 -12.589 -3.284 -26.431 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 -1.185 -5.570 -5.354 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 21.558 2.335 16.167 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 -21.856 -16.195 -10.879 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 -6.416 1.198 -1.065 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 5.784 -20.361 25.043 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 -40.300 -11.073 -6.978 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 0.039 6.136 0.455 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 -0.235 6.092 -0.441 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 -6.905 2.049 -1.683 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 5.595 2.881 -8.783 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 17.971 20.816 4.791 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 -10.932 -10.340 -0.428 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 -1.968 -2.495 -2.565 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 -1.388 -0.789 -15.505 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 23.698 6.815 1.730 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 -4.998 2.853 -0.351 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 4.117 2.982 -3.273 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 7.020 12.619 16.783 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 -2.102 1.068 -3.383 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 23.805 -5.281 -1.050 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 4.639 27.066 -19.192 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 -2.055 -4.156 6.191 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 -9.117 -12.384 25.032 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 1.580 13.553 5.499 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 -8.234 -3.221 4.963 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 -19.705 7.186 -1.065 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 -14.034 -4.295 -22.604 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 1.079 2.061 -0.107 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 -1.687 -2.500 5.561 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 -6.041 -12.494 -14.921 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 -6.305 0.814 -7.072 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 -6.346 7.090 -15.568 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 -11.654 8.146 -13.452 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 -8.198 -5.213 7.248 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 -5.205 -2.514 -0.567 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 -19.079 -5.695 10.482 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 0.599 0.051 8.505 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 -0.764 -3.135 2.467 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 0.553 0.812 13.832 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 4.476 -2.387 -1.842 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 29.704 10.037 13.361 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 6.277 5.830 5.203 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 -2.176 5.395 -3.890 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 -6.633 2.340 -5.083 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 1.118 7.232 -3.154 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 3.753 0.437 2.110 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 -3.316 -2.470 20.724 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 -0.338 21.196 1.836 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 -6.710 -3.164 -0.059 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 -12.085 11.605 -6.490 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 9.580 2.376 -3.181 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 2.981 0.777 -0.455 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 -2.045 -0.380 -0.441 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 6.193 -3.045 -3.644 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 -1.972 -4.764 1.505 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 -5.522 -4.384 -1.409 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 10.162 -6.925 -7.344 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 7.425 -0.976 0.277 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 -3.608 -2.112 -7.653 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 -9.160 7.853 12.548 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 -8.154 3.906 0.823 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 9.073 -9.613 6.447 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 4.542 -1.989 7.471 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 -3.524 -5.334 -1.690 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 7.984 -7.931 -0.999 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 21.432 -11.996 13.723 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 4.802 -2.404 2.694 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 10.542 11.114 16.788 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 -8.615 4.669 -4.645 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 -2.207 0.573 -0.520 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 -10.694 -3.539 8.958 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 9.251 1.756 -21.352 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 -6.034 0.688 -3.089 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 -8.967 -13.650 19.914 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 19.538 4.390 -2.098 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 0.940 -4.434 3.681 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 3.134 -6.337 3.923 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 -6.187 -10.921 14.181 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 -0.267 0.047 0.428 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 2.859 15.609 -1.745 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 9.787 7.805 -0.518 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 -7.132 2.280 -1.440 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 12.972 -3.576 -8.297 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 -8.029 -4.413 4.667 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 -3.106 -7.444 4.933 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 2.056 -7.524 11.703 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 27.857 -9.802 6.293 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 6.268 -6.832 -1.764 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 11.833 -17.785 -18.571 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 6.805 -4.463 -7.498 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 0.957 2.169 2.521 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 3.689 5.935 1.742 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 6.717 -6.978 11.147 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 10.178 1.121 -0.084 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 -9.383 -2.043 1.338 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 0.197 21.471 -7.096 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 -0.378 -2.576 5.209 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 -17.984 11.905 -0.974 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 10.155 10.388 -8.655 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 -1.355 0.385 1.797 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 -4.144 -4.233 -2.868 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 -8.532 -0.449 6.097 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 -1.543 2.923 1.035 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 9.031 2.093 22.164 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 -0.147 -7.905 -11.588 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 -9.988 -5.961 3.732 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 -19.715 3.277 9.974 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 -15.965 -2.422 9.437 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 1.011 0.681 1.687 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 -18.991 0.091 0.961 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 21.325 7.228 28.235 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 2.963 -4.417 0.653 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 4.958 2.996 -0.928 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 -0.911 -26.213 -7.381 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 5.357 0.256 2.812 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 0.225 -3.648 8.991 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 2.772 -1.657 5.533 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 3.006 -4.871 3.879 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 -9.951 18.110 26.776 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 2.815 0.726 -2.318 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 -10.113 -5.132 5.824 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 18.962 -15.032 -6.020 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 -2.452 6.537 9.033 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 4.875 -3.933 2.526 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 3.944 -1.511 3.063 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 2.498 4.375 -24.986 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 -2.464 3.143 3.618 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 -8.615 3.801 8.736 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 -3.203 -0.355 1.481 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 5.306 2.970 -2.111 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 -5.667 19.857 4.195 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 -8.436 1.755 -16.313 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 -5.249 2.154 -1.303 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 0.454 3.834 -1.794 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 -4.750 1.531 7.718 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 0.946 5.443 -0.314 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 -5.565 -2.401 -8.013 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 -1.369 3.413 -2.447 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 1.665 8.581 1.276 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 6.864 -12.736 -29.705 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 0.129 15.762 8.920 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 -0.377 6.327 -8.900 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 -10.285 33.959 21.545 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 0.958 5.060 -5.044 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 -1.300 7.514 -6.442 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 19.680 5.712 -11.305 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 -6.927 -1.701 4.233 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 -0.533 -4.214 1.154 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 10.843 7.660 -17.025 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 -3.600 -3.360 -4.123 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 6.163 1.166 3.856 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 5.214 3.342 10.684 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 7.516 20.026 18.279 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 -4.472 3.086 -3.050 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 -7.466 -4.626 -1.326 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 -0.490 3.087 -20.517 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 -2.033 2.474 2.594 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 -26.640 -2.716 17.126 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 0.518 6.052 10.246 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 6.155 -0.954 -3.366 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 -9.506 0.139 12.013 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 0.838 0.232 1.564 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 2.432 -4.043 2.501 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 5.855 -10.450 6.449 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 -4.066 -0.569 6.092 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 -9.103 -9.411 5.085 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 -3.506 -6.426 -2.811 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 -10.643 16.797 2.317 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 2.345 -0.163 -8.729 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 -2.107 1.401 -2.289 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 -28.776 11.314 26.858 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 -3.820 -1.480 5.789 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 -5.351 -16.083 15.183 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 23.042 17.183 2.900 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 4.116 -0.556 2.698 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 4.101 -18.691 1.973 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 5.535 -17.219 3.954 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 -5.593 1.408 -1.271 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 -9.325 -18.749 -2.260 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 -12.811 -20.272 -3.370 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 7.564 -2.904 2.563 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 23.807 -5.058 4.308 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 -0.313 0.989 4.014 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 5.897 1.866 1.072 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 27.686 -3.298 2.112 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 1.867 18.818 -5.319 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 0.879 -7.186 -2.542 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 15.310 15.202 -7.236 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 -5.778 -4.717 25.779 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 -4.713 0.748 10.342 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 -24.051 -6.060 3.372 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 -10.547 -7.999 11.093 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 1.281 -1.896 0.972 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 13.641 9.793 25.769 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 2.991 -2.427 -12.459 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 2.282 3.663 -0.368 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 0.426 11.338 1.670 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 12.921 -9.251 1.810 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 2.345 6.164 -5.098 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 -8.335 2.524 -7.648 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 20.838 -0.976 -2.488 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 3.060 3.759 -0.310 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 1.691 4.260 -7.958 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 6.728 -7.602 -8.396 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 2.675 2.503 0.365 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 15.239 -11.785 8.794 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 4.586 -7.861 -2.225 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 -0.668 4.797 -4.135 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 1.025 5.495 1.651 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 -3.539 -4.405 -26.119 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 2.445 -0.730 3.997 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 -29.429 9.975 36.126 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 -20.146 -12.207 -21.225 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 -0.078 -2.265 -3.172 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 -10.105 9.725 3.788 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 8.188 -3.832 -15.187 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 2.656 -1.420 -2.384 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 -8.329 -7.034 17.163 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 -2.679 -2.981 -3.136 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 11.539 3.141 -1.768 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 13.042 10.877 -1.487 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 -1.025 3.802 0.669 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 -2.210 0.485 -6.414 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 0.865 -2.798 -8.754 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 -7.817 -0.261 -6.173 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 6.946 5.022 2.269 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 9.411 -25.790 -4.140 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 13.471 19.218 -16.232 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 4.063 2.642 0.482 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 -2.232 -0.313 21.308 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 13.098 14.519 -3.595 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 -4.938 -0.973 4.774 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 -3.841 -0.442 5.274 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 20.116 2.719 19.982 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 -3.644 -0.456 1.792 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 0.942 -5.704 6.631 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 0.541 1.357 -2.764 1.00 0.00 SOLV ATOM 3090 MG MG X 205 -1.136 0.079 -0.523 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 -0.594 2.224 -3.018 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 0.586 9.709 -2.249 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 -0.633 19.479 20.756 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 -6.315 -0.098 -6.356 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 -5.307 2.436 -6.829 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 -6.545 12.081 -6.589 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 5.195 4.971 6.753 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 -0.002 -4.155 3.964 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 0.447 1.102 5.812 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 2.235 -2.446 0.092 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 4.054 -2.431 -3.591 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 3.097 -3.095 6.757 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 -6.532 -0.688 -4.166 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 -12.651 3.667 4.600 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 -13.390 7.753 -5.391 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 0.015 -4.560 2.994 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 -6.225 6.379 -1.592 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 2.016 1.007 3.358 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 -9.782 11.959 15.260 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 2.670 6.711 15.573 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 -5.671 -0.263 8.570 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 13.826 35.206 6.798 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 -3.204 -3.903 -3.942 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 27.712 -5.306 13.853 1.00 0.00 SAM ATOM 3115 N SAM X 301 -6.610 -2.589 -1.300 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 -7.750 5.798 13.750 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 7.683 -0.536 2.925 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 -0.239 -17.120 4.537 1.00 0.00 SAM ATOM 3119 CA SAM X 301 -1.722 1.552 0.823 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 23.974 7.279 14.050 1.00 0.00 SAM ATOM 3121 CB SAM X 301 8.841 0.362 0.423 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 8.949 8.111 -0.756 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 -20.780 32.671 -9.146 1.00 0.00 SAM ATOM 3124 CG SAM X 301 0.626 -5.949 -3.570 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 -0.189 11.533 -0.748 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 -11.062 -5.089 1.732 1.00 0.00 SAM ATOM 3127 SD SAM X 301 0.987 -1.479 1.002 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 1.453 2.369 4.809 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 -25.879 9.077 1.479 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 -10.241 -14.220 1.295 1.00 0.00 SAM ATOM 3131 CE SAM X 301 0.673 3.292 0.072 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 4.092 29.710 20.832 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 40.032 10.906 31.696 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 22.080 17.701 16.728 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 -7.248 -8.242 9.677 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 0.689 21.183 11.630 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 4.416 -2.193 3.635 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 7.866 0.238 20.736 1.00 0.00 SAM ATOM 3139 C SAM X 301 -4.372 5.350 2.965 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 -4.893 -4.133 6.683 1.00 0.00 SAM O ATOM 3141 O SAM X 301 -7.025 0.730 -5.042 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 -0.426 1.647 -3.670 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 -12.937 7.024 -8.570 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 -2.309 0.518 -9.414 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 -7.495 -4.137 3.346 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 -5.203 -13.177 15.070 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 14.008 11.332 11.543 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 -3.438 -3.694 7.252 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 -5.511 14.325 4.330 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 -3.776 -2.047 6.916 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 -3.095 2.005 -8.530 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 -11.926 5.841 12.325 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 -3.157 -0.886 -2.993 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 1.999 -0.768 4.354 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 -8.982 11.389 9.201 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 5.840 -0.474 4.426 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 7.291 -4.839 -4.501 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 9.535 -5.043 -4.711 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 3.173 -18.856 -5.597 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 0.418 -4.561 -2.222 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 -15.997 18.501 2.074 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 -9.789 6.672 -5.821 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 -3.286 -2.469 -8.316 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 -12.073 -2.207 1.257 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 -14.667 12.293 13.021 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 -2.416 0.958 0.464 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 -4.151 5.988 2.245 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 1.353 -4.518 -3.905 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 -0.012 -0.657 -4.948 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 -3.287 -12.080 -7.086 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 17.014 9.375 -0.857 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 2.143 1.695 -5.491 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 0.345 1.687 -8.229 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 3.050 -35.508 11.878 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 -1.350 -0.887 -5.795 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 -7.217 5.251 -9.147 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 -3.311 -6.385 6.049 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 5.884 1.214 1.993 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 -1.604 1.949 -5.466 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 23.051 -0.772 20.788 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 -0.142 5.364 0.149 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 21.220 18.940 -1.996 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 -0.294 19.368 15.720 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 -2.370 -6.032 10.154 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 5.910 -3.129 13.339 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 -5.236 1.800 17.980 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 5.404 1.261 -4.638 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 -1.571 -2.849 -1.030 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 12.674 -1.559 0.091 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 -5.144 -1.433 0.650 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 -15.300 -6.514 -5.800 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 -9.742 21.196 -4.634 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 -1.989 -5.089 -3.073 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 6.525 5.270 -12.475 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 1.755 -15.609 -5.402 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 -2.162 5.593 3.754 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 -32.280 27.100 -4.906 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 14.155 -0.187 -14.030 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 -6.752 -4.094 -1.934 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 -1.828 -2.358 11.732 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 -16.393 2.156 13.094 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 -2.224 -1.351 -2.089 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 -0.870 -12.922 8.060 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 -3.934 -15.211 12.780 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 3.393 0.611 -9.694 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 10.610 -3.453 2.829 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 19.493 0.318 -20.728 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 0.149 4.640 -1.463 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 -13.661 0.473 5.395 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 -6.336 6.765 -18.467 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 -1.201 0.408 -11.486 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 4.863 -27.740 -29.470 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 0.432 1.576 -24.592 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 10.087 1.202 -0.029 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 19.766 -2.813 14.840 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 -18.284 0.829 5.580 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 3.048 3.787 -5.356 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 15.163 19.267 2.517 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 -6.849 -7.025 -8.110 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 -8.650 -0.191 6.924 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 -1.120 -2.051 5.946 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 -4.808 -5.466 0.966 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 3.677 -1.657 -9.110 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 -1.587 -10.134 -25.532 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 -11.448 -3.055 3.251 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 2.006 -1.891 -4.945 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 23.898 -12.422 -25.616 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 -14.322 12.009 -9.654 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 -6.133 7.525 3.581 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 -6.792 14.956 12.783 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 2.899 12.538 -3.987 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 -4.236 6.630 2.900 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 2.229 11.782 2.809 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 10.236 15.356 3.274 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 -1.485 -0.851 1.697 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 6.586 -9.990 16.359 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 7.745 -1.639 -8.675 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 -4.444 1.622 -5.539 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 -8.307 7.403 -11.334 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 5.797 -17.973 8.823 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 2.943 3.030 3.420 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 5.392 -5.102 -1.575 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 10.538 6.790 6.849 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 -4.993 2.031 4.314 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 -10.719 4.260 -4.995 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 6.134 7.997 8.172 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 -0.320 1.849 -0.319 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 -5.905 2.901 -5.315 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 0.713 2.028 1.320 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 -1.486 1.967 1.117 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 -3.387 6.609 5.442 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 -1.348 2.176 0.870 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 6.120 0.302 -2.818 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 2.122 -0.234 -7.671 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 -4.494 -3.140 -10.974 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 1.480 -2.823 1.104 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 5.964 5.149 11.022 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 12.162 -24.217 1.130 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 -3.130 -2.133 10.449 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 -15.734 -9.281 -18.613 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 -9.777 9.718 10.649 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 3.531 2.499 -7.513 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 -2.142 -6.588 -4.598 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 21.802 -6.154 -4.684 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 -0.335 -2.311 2.725 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 5.786 1.985 7.346 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 20.472 -6.967 12.996 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 5.037 -0.092 -4.853 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 -2.427 3.551 6.537 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 22.465 -27.289 19.057 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 -5.114 1.756 1.966 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 -4.909 -6.944 2.211 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 -5.472 -4.001 11.403 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 5.677 1.314 3.165 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 -0.050 5.470 -5.591 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 8.708 6.816 12.553 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 -0.527 -8.945 4.215 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 -1.220 -12.171 5.320 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 14.566 4.971 31.520 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 -1.684 -5.294 -6.865 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 1.480 -7.389 11.441 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 -7.361 0.457 -16.167 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 -0.304 1.308 -1.361 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 12.483 -8.411 8.539 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 -8.271 9.315 0.333 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 7.792 -2.319 1.588 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 7.479 15.454 9.482 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 16.577 -1.956 -17.474 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 -2.243 0.628 -0.647 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 -0.177 -2.367 -11.091 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 -9.250 18.590 3.534 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 1.168 5.497 4.198 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 -12.740 -6.863 -2.172 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 -4.028 -1.344 12.361 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 0.861 -0.575 -0.427 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 -2.157 -5.993 -9.205 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 3.497 -1.577 8.666 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 -5.201 -0.772 -2.371 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 -0.783 -22.424 -11.863 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 1.080 -6.311 33.342 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 3.086 3.643 1.250 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 8.656 -12.421 21.544 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 0.783 -4.669 -19.837 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 0.130 -0.687 -1.152 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 0.303 4.645 -3.449 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 -7.167 -23.942 3.242 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 -0.342 0.614 -3.551 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 -33.322 0.266 8.634 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 -1.763 12.139 6.700 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 7.164 -6.984 7.107 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 7.119 5.666 6.257 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 2.255 14.906 6.910 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 7.890 7.605 0.374 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 -0.034 -17.201 43.768 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 7.137 6.075 3.360 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 4.613 -2.552 -4.778 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 2.473 5.600 -1.308 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 1.774 -1.740 1.636 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 2.878 -4.027 7.253 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 -8.927 5.285 23.853 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 1.140 33.335 11.070 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 1.182 2.236 0.374 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 10.192 20.175 30.706 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 -22.366 17.636 12.282 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 0.433 5.446 -1.699 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 3.489 -4.808 -6.919 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 -12.196 -8.129 -9.989 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 -1.086 1.424 -0.657 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 17.247 20.709 8.714 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 -7.822 8.443 -28.804 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 8.089 -2.791 1.366 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 -1.949 -7.743 -9.025 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 -0.014 7.341 9.880 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 -5.579 3.147 -2.256 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 -11.975 14.413 15.160 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 15.405 10.274 -3.729 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 -2.908 2.915 -1.759 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 -7.048 4.626 6.331 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 -4.548 3.955 -9.565 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 2.065 -2.257 1.187 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 -10.928 -21.925 17.546 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 -2.146 -0.541 -21.624 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 -4.150 0.107 -0.245 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 -13.374 -6.580 6.069 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 6.555 -9.108 9.211 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 5.378 4.317 5.704 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 22.716 1.193 15.294 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 -22.389 9.606 -8.901 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 0.463 -2.420 6.411 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 -3.983 -15.311 3.037 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 -4.485 -12.045 3.851 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 -3.604 1.570 -1.563 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 4.529 -2.900 -0.351 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 0.998 7.580 -5.402 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 -0.108 2.824 1.425 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 3.824 6.979 -2.897 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 5.209 4.894 -1.845 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 2.280 -2.363 0.429 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 1.650 2.627 12.340 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 -6.330 2.258 24.462 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 -7.252 1.847 2.654 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 -6.076 -12.845 -3.312 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 1.981 1.517 12.482 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 -11.684 -7.636 -1.365 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 5.652 18.926 -0.619 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 11.615 4.950 19.687 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 -4.756 -4.993 0.384 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 0.996 -25.126 -5.769 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 8.821 2.838 6.817 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 -0.969 -0.938 -0.077 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 10.936 3.520 -31.139 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 -5.738 -2.461 12.956 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 -3.580 -1.141 -0.516 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 21.063 -2.148 -15.806 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 0.314 9.218 -3.776 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 -1.377 2.209 0.700 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 12.540 -15.541 5.190 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 2.789 13.257 15.220 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 -2.030 3.777 3.666 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 -0.249 4.201 5.548 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 6.645 7.804 13.352 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 -3.753 1.943 -7.422 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 4.653 15.102 -13.215 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 14.127 2.173 5.136 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 -0.488 4.187 -0.184 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 -0.691 4.337 3.496 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 -2.382 5.776 -3.939 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 1.889 1.213 -1.249 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 -14.986 -9.804 -16.085 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 3.587 -5.383 -12.989 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 -4.678 -3.209 -2.559 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 -10.292 -14.216 2.339 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 1.085 -6.722 -12.608 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 0.624 -0.961 -2.892 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 0.734 2.641 -1.441 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 -26.331 -16.706 -20.698 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 -0.797 4.208 -1.956 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 -9.639 0.758 -21.753 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 -17.820 -13.972 -11.749 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 2.428 0.989 4.897 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 4.480 -8.557 -11.734 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 1.151 19.124 -1.377 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 -7.020 1.772 -6.655 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 18.453 6.838 -10.341 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 1.362 -16.690 1.028 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 1.188 -0.064 -1.677 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 13.171 -21.994 5.961 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 0.019 30.043 4.908 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 0.838 -2.080 1.559 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 12.242 0.985 25.974 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 -1.159 -1.388 2.117 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 2.632 0.745 1.268 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 4.812 7.577 -11.514 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 -8.717 2.911 -8.564 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 1.359 6.514 -0.272 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 16.838 14.452 -4.221 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 -13.876 -9.478 5.208 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 -0.068 -0.127 2.673 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 11.667 15.406 3.559 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 6.025 4.903 16.851 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 1.248 -4.023 4.382 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 -0.708 -9.602 -2.464 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 6.776 2.490 0.252 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 4.409 4.289 -0.211 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 -31.390 27.473 11.764 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 6.332 -6.195 -5.090 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 3.134 1.610 -2.369 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 13.110 12.205 3.282 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 8.582 -9.669 3.876 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 5.558 -6.793 -7.893 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 -1.828 -11.034 -43.455 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 12.219 -2.981 2.782 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 0.010 -5.229 2.568 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 -12.881 14.767 9.004 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 -18.474 7.454 2.570 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 10.523 -9.891 2.788 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 7.690 -17.688 -7.712 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 12.371 3.553 -2.139 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 1.900 6.047 2.880 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 8.037 -1.918 5.485 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 -1.605 18.804 0.486 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 -0.064 -4.402 -4.976 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 3.557 -1.496 -11.148 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 0.842 2.270 -6.417 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 3.862 1.172 -3.649 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 9.009 2.679 0.213 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 4.319 1.686 6.408 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 1.389 1.665 -6.811 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 8.069 5.502 8.210 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 -5.594 9.026 -13.498 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 0.761 -1.266 -4.206 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 3.161 2.674 -8.379 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 -3.018 -10.188 -10.047 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 -0.927 1.475 2.001 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 3.493 -1.765 7.268 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 7.125 -4.461 11.434 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 -3.371 -4.130 -1.166 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 -12.664 4.786 0.182 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 -11.995 31.641 7.125 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 3.931 8.165 -1.346 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 14.633 7.410 0.362 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 5.045 11.975 -6.513 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 4.775 -5.570 -5.266 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 9.588 11.529 -15.275 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 -1.600 -22.213 3.885 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 6.397 -3.682 8.449 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 20.942 6.479 17.648 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 -18.327 5.099 21.012 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 3.903 -5.067 -5.517 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 2.889 -3.538 -5.920 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 0.545 0.549 -7.925 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 3.246 9.376 -4.643 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 2.132 13.507 9.651 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 7.019 9.434 -5.912 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 4.025 -4.763 -1.645 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 -7.802 -10.789 7.326 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 8.885 15.456 -11.644 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 -1.542 4.532 5.617 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 13.546 -7.986 10.536 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 -11.235 4.718 -6.533 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 -3.472 1.844 1.550 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 7.942 -8.001 8.003 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 -5.882 -4.974 -16.244 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 -0.647 -0.544 1.665 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 -1.225 -22.390 -7.497 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 -10.650 16.260 8.149 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 -3.308 -1.888 1.059 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 6.956 8.052 13.632 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 -15.357 -15.645 8.311 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 -2.068 -0.287 0.908 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 4.145 8.369 -16.519 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 -3.956 -11.471 28.732 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 3.283 3.711 -7.651 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 5.711 -6.995 -5.747 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 1.353 11.609 -10.533 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 -3.254 -3.588 -0.168 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 5.699 16.516 12.233 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 3.518 10.995 15.902 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 5.274 6.655 1.632 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 3.302 9.653 -0.759 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 7.737 8.741 9.564 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 1.021 -0.263 -3.445 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 7.850 12.628 -3.865 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 -1.950 4.989 -5.630 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 -0.431 -0.443 -3.110 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 -11.532 -7.867 4.531 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 3.300 0.855 -4.423 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 -1.242 0.300 2.267 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 20.705 -3.566 14.145 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 -3.246 -17.975 -14.270 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 -3.261 1.041 -1.946 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 2.906 2.118 -3.242 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 -2.484 4.257 -3.400 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 5.903 4.613 -1.408 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 3.128 22.533 11.808 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 32.061 -0.064 3.381 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 -12.293 -6.943 2.419 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 -16.216 2.965 -4.087 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 -9.398 -9.421 -3.106 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 4.976 2.161 -6.536 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 11.133 16.923 7.430 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 -5.765 -15.507 2.508 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 0.084 1.379 -1.865 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 3.730 -4.288 -21.999 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 3.431 13.177 1.503 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 -6.536 1.131 -4.098 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 2.603 0.556 11.666 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 -6.802 0.454 -7.775 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 -4.348 3.662 5.692 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 2.174 4.743 9.502 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 -5.814 1.761 2.099 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 0.348 5.712 -0.759 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 -0.402 -16.597 2.587 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 14.422 12.676 9.394 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 -2.052 6.640 0.790 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 17.922 28.101 -8.469 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 -18.775 -10.460 18.862 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 -2.408 -1.241 1.168 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 3.486 16.509 -1.943 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 3.040 15.115 -1.728 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 6.252 -0.657 -1.478 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 2.470 -11.860 -23.346 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 14.958 -11.844 -12.937 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 0.576 -6.310 -0.573 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 -0.038 -4.376 -0.802 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 -4.919 -16.358 0.439 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 2.917 -2.852 -3.808 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 1.377 14.067 -7.119 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 -16.811 7.564 15.960 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 3.232 5.423 -5.734 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 -14.816 20.634 -4.105 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 2.408 -0.576 -25.472 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 2.459 -0.673 4.204 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 -0.732 7.142 3.768 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 -12.813 11.571 2.714 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 -6.409 -5.383 1.339 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 2.003 -24.964 -16.823 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 -1.059 -13.269 -10.701 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 -0.231 6.642 -4.136 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 10.172 21.878 13.023 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 -15.095 21.023 -2.982 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 -0.954 3.144 1.065 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 10.759 -10.679 2.619 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 -5.514 20.328 -21.029 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 -5.457 1.069 -4.518 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 -6.680 -12.175 -23.411 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 14.924 10.138 2.102 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 -4.819 -5.991 2.783 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 3.765 -2.348 7.696 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 6.746 -10.689 -16.325 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 -1.667 -1.512 5.769 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 -0.317 -5.968 3.730 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 20.515 -8.661 5.146 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 -2.854 -11.240 2.599 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 15.927 -7.588 -7.006 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 -12.925 -1.159 0.530 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 0.457 6.599 -1.443 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 14.161 4.174 -19.524 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 -29.747 7.502 13.475 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 -2.056 0.088 -3.225 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 -15.673 -12.826 2.606 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 8.678 10.862 -13.403 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 -5.150 -2.059 -1.636 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 -25.996 5.862 9.502 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 11.395 -23.662 16.060 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 -1.767 -3.818 2.848 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 8.405 2.200 6.005 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 -6.298 -6.781 20.441 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 -0.082 -7.936 2.675 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 1.468 -21.838 -9.606 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 17.381 8.264 -18.455 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 2.253 -1.244 0.908 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 20.979 -15.830 15.223 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 -0.817 -2.186 -5.568 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 0.263 -1.447 2.372 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 -2.421 -6.535 3.289 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 -3.885 -7.087 5.952 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 3.336 -3.293 2.126 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 11.010 -28.509 -12.287 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 16.798 -2.439 9.983 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 -9.533 4.709 2.789 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 -6.016 3.459 4.612 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 -10.704 2.415 1.994 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 -3.059 -2.132 -2.606 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 25.184 -34.138 1.769 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 4.969 -14.429 3.643 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 -0.369 1.420 -1.635 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 4.549 -25.215 8.866 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 5.897 -6.009 -2.941 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 3.216 -3.328 2.696 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 0.479 -8.270 7.237 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 0.874 -0.808 -5.538 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 5.046 -6.204 -2.417 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 -0.300 5.684 3.185 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 20.337 -11.629 -4.757 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 -3.235 4.298 -0.246 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 -4.409 6.795 -5.420 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 -2.267 2.534 7.083 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 4.087 7.493 -8.042 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 -17.203 8.570 -8.146 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 4.483 9.454 3.253 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 2.002 1.991 2.357 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 11.107 -26.956 14.332 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 -19.503 -1.890 -31.533 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 4.545 -1.438 -5.845 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 14.340 4.629 -5.572 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 -8.881 0.474 2.172 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 6.106 -4.599 -5.483 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 8.425 -16.658 -6.238 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 8.558 -16.348 -5.409 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 -5.292 2.027 0.827 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 -14.503 1.910 0.460 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 -2.795 -1.011 4.546 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 0.428 -1.759 4.333 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 12.235 2.012 4.640 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 18.269 -27.213 -10.278 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 -0.416 0.001 3.673 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 -23.534 -7.889 16.575 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 -2.499 3.171 -1.555 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 -8.937 5.516 1.077 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 0.294 4.977 3.369 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 9.540 8.553 -34.220 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 -2.776 2.756 3.506 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 -1.436 9.525 -5.977 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 -0.824 -7.961 -3.407 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 1.643 -0.952 0.279 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 -11.703 -15.135 12.969 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 -10.648 -0.999 5.480 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 1.385 -3.627 -2.866 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 7.300 -4.058 -5.922 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 2.555 -17.732 11.975 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 -1.471 0.315 -2.358 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 7.585 -0.997 4.147 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 -25.937 -4.492 -26.085 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 1.720 4.386 1.467 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 -23.519 4.937 -3.900 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 8.446 -21.000 4.998 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 -2.912 4.943 -3.732 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 1.332 -23.354 -17.964 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 4.571 20.668 -5.449 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 3.736 1.378 -2.027 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 9.969 -4.604 17.470 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 -9.823 -13.603 -10.100 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 -3.260 -0.746 -4.578 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 5.660 2.582 -10.105 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 -0.281 -31.647 -2.938 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 2.191 3.553 -7.702 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 5.748 -16.975 2.225 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 -8.106 -4.619 0.701 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 -0.706 0.858 -2.395 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 -19.365 7.386 14.368 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 -13.426 -11.095 18.161 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 -2.415 1.967 -2.484 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 -14.712 -5.281 14.493 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 12.227 4.080 -1.538 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 -1.786 5.923 -2.530 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 3.482 6.646 0.261 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 3.494 7.373 0.388 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 -2.542 1.832 -2.572 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 -7.399 14.715 -12.371 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 -11.161 18.522 -7.788 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 -0.415 -6.824 10.134 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 1.182 1.394 17.979 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 11.747 -11.890 -11.880 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 1.513 3.658 -0.681 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 -0.829 11.350 0.162 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 -2.608 1.184 0.136 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 -3.587 -2.883 2.013 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 10.819 4.143 1.056 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 23.358 11.086 1.089 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 -5.318 1.814 0.134 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 30.081 -6.054 -9.152 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 -0.297 0.867 0.725 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 4.611 -6.603 2.274 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 6.837 -7.948 -6.047 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 9.776 -7.356 6.473 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 -7.451 1.021 2.881 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 14.032 3.181 10.203 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 -10.074 15.885 6.837 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 1.347 3.176 -5.080 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 32.079 10.517 -28.780 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 2.514 6.233 -6.068 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 0.979 3.807 -2.163 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 -11.765 5.626 -9.301 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 3.008 25.784 -13.280 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 -0.435 4.137 -4.814 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 16.490 -12.112 -2.333 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 -0.711 17.277 -6.532 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 -3.557 -3.288 -11.121 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 0.624 0.035 -10.797 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 -5.027 -3.065 -5.477 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 6.430 -4.673 3.692 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 6.691 11.816 13.123 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 2.197 -9.194 -1.210 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 2.142 3.537 -4.488 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 -3.636 -16.177 -20.823 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 -26.676 19.502 -3.871 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 7.076 -1.624 -6.402 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 0.062 -7.761 13.865 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 21.244 -15.302 -10.471 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 -0.478 -1.238 -1.218 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 3.899 -26.167 -2.407 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 7.045 3.430 -3.801 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 4.583 4.591 0.221 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 -1.796 16.081 -6.359 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 3.006 4.790 0.628 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 5.600 -0.907 5.363 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 8.307 -7.513 9.326 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 11.602 7.791 4.179 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 7.074 0.793 -5.862 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 12.231 2.152 -15.190 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 0.095 -9.755 -8.460 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 1.841 -7.793 2.987 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 -11.979 -8.194 8.627 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 -6.321 -11.027 7.792 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 -5.383 -0.185 0.260 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 -0.897 -6.285 1.863 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 -7.841 1.644 -1.733 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 -3.447 0.463 0.070 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 -11.491 -41.386 2.174 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 -11.732 -0.349 -11.823 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 -4.607 0.199 7.028 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 -17.401 -0.870 7.372 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 10.397 1.114 -1.767 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 1.518 -4.550 1.101 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 4.022 -13.755 14.259 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 1.771 -1.786 -17.019 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 0.804 1.342 -5.877 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 5.140 11.071 -2.927 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 2.101 33.047 -10.331 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 1.162 -0.900 12.041 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 0.314 -9.293 11.166 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 -2.609 1.445 14.324 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 -0.482 1.334 1.675 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 -28.784 0.064 9.717 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 9.630 -6.937 -12.539 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 -3.683 -0.477 -3.970 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 -8.791 -12.803 -8.967 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 1.218 -2.683 -3.311 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 -2.328 9.157 -5.812 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 -7.573 -16.351 20.056 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 7.841 -14.154 -13.548 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 -4.296 0.164 -1.487 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 -1.918 4.223 6.402 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 7.602 15.151 23.765 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 1.048 2.601 3.669 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 12.080 1.683 -10.289 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 23.693 -4.192 -23.447 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 -0.236 -6.514 8.410 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 7.799 -8.951 13.886 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 -10.582 12.724 20.859 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 -4.206 -2.204 0.585 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 -6.190 -19.657 8.120 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 5.658 7.706 10.312 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 -3.229 4.080 5.782 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 -1.523 -22.877 3.556 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 -23.589 -3.002 14.835 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 7.388 -3.165 -2.854 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 6.923 -2.003 6.749 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 1.831 -3.860 -4.381 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 -1.245 -1.101 7.415 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 7.653 -14.261 14.615 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 -0.608 10.378 13.766 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 3.372 0.577 -0.336 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 -12.461 -5.647 -10.070 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 33.616 -21.007 22.387 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 -1.117 -5.771 2.793 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 5.441 14.987 -18.130 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 3.750 13.174 11.089 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 0.011 -1.364 5.039 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 12.702 5.802 2.833 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 -3.901 -15.641 4.351 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 -1.054 -0.343 7.271 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 -1.846 -0.320 5.112 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 -9.888 -3.640 -21.068 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 -1.395 -5.135 -2.168 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 -5.206 -2.264 20.592 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 -7.023 8.598 -5.607 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 0.842 -2.145 -0.821 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 3.923 0.262 -0.865 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 9.898 1.096 -4.042 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 0.359 4.133 -4.169 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 5.341 24.710 -17.364 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 -20.957 -9.800 -11.984 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 7.959 -2.372 1.539 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 -4.270 19.384 8.327 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 -18.442 13.473 3.459 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 -0.162 3.591 7.344 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 2.347 24.562 3.954 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 -19.951 -1.414 1.303 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 -0.526 7.580 -1.910 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 1.011 6.344 -1.674 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 29.116 -9.571 9.219 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 -4.545 0.074 -5.223 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 3.621 3.790 6.676 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 -0.507 4.901 -15.000 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 0.040 -3.768 6.143 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 -5.787 -3.589 -5.903 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 8.737 0.626 23.607 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 -4.117 -4.618 -0.056 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 7.075 -14.159 -15.032 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 -5.863 15.320 -5.304 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 4.162 1.350 0.991 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 -5.360 -19.385 7.689 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 -3.538 2.078 2.065 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 -0.894 -4.958 -8.220 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 1.439 -15.469 -3.057 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 0.915 0.769 2.274 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 2.408 5.674 -3.452 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 0.668 0.487 6.248 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 -1.597 9.901 -1.464 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 -1.568 -0.569 -10.180 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 -4.031 -9.412 -7.829 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 3.976 -4.680 -4.574 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 2.430 -1.646 -1.688 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 -2.252 -3.326 0.708 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 9.840 0.576 -5.924 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 -2.313 -0.983 -5.335 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 -2.955 5.549 -10.626 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 -3.384 22.553 -8.454 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 -2.033 1.878 -4.446 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 -1.262 -7.625 -9.271 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 -10.571 -10.979 -17.966 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 2.438 -2.172 1.060 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 -1.472 4.380 -7.989 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 -1.241 7.236 13.603 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 -4.282 -4.596 -0.369 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 1.033 0.241 -1.497 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 -5.603 7.176 8.939 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 -5.921 4.338 1.643 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 7.139 18.482 2.429 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 -11.587 9.842 -28.281 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 -8.816 5.591 -11.637 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 11.455 5.822 -18.283 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 -12.604 15.892 -5.592 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 1.596 4.800 2.125 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 -2.634 -34.250 0.246 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 4.493 30.069 20.598 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 -3.635 0.919 7.138 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 -7.060 -5.370 14.653 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 -9.702 -6.685 20.571 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 -5.872 -1.335 1.003 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 11.378 0.832 -5.063 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 -12.350 9.081 -4.131 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 9.395 -2.326 1.297 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 -25.081 -11.948 -16.870 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 -1.698 -6.312 -3.919 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 0.346 -6.345 -0.696 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 -7.797 -0.727 5.665 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 -9.218 -1.716 -4.233 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 2.244 2.650 1.598 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 -1.340 9.281 17.654 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 -0.901 -9.467 -19.456 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 8.387 5.379 5.255 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 9.189 21.623 -13.701 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 -5.247 6.295 22.518 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 0.714 0.575 5.382 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 4.768 -6.286 -6.326 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 7.090 -8.267 6.634 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 2.462 -4.585 1.910 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 11.193 -30.013 3.705 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 2.844 -1.685 1.998 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 -5.116 1.216 -4.309 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 -9.318 5.145 22.758 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 -20.939 5.547 12.652 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 4.685 -1.192 -5.135 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 -8.012 -18.432 -1.930 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 7.703 -5.235 3.315 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 3.885 0.658 -2.988 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 20.686 13.474 9.543 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 12.871 5.081 -17.836 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 -1.221 -3.855 -1.681 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 -14.974 -24.755 0.366 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 -5.324 2.882 3.005 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 3.506 6.373 7.278 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 -13.578 -21.311 -0.149 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 37.622 0.464 5.796 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 -5.785 -3.577 -10.229 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 -5.610 3.101 -14.858 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 16.990 -10.357 7.558 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 1.280 -2.378 -0.800 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 3.103 -6.345 -17.562 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 0.669 4.986 8.179 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 -5.590 6.473 0.590 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 13.172 -8.098 16.815 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 -27.141 -18.788 -27.149 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 0.920 -7.991 11.028 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 12.692 -7.780 21.436 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 -0.455 -12.748 -1.568 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 -2.075 0.173 -0.810 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 -22.901 18.653 24.096 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 11.436 -13.772 -1.023 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 0.951 1.452 -2.771 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 -23.484 21.831 -20.385 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 -7.802 -24.531 16.980 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 -0.399 3.378 4.925 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 -2.554 -0.993 14.905 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 -3.197 3.642 -6.639 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 4.379 -1.435 -1.098 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 -5.072 8.364 -2.788 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 5.548 -7.038 4.535 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 -1.506 -2.562 -3.973 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 -20.039 22.362 25.420 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 -1.728 16.245 2.704 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 -1.499 -2.150 -6.681 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 -13.984 13.811 6.077 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 -5.336 3.280 2.152 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 1.163 -2.443 0.260 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 -26.724 -24.020 -0.171 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 12.120 -15.085 -4.971 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 -6.418 -1.034 -10.792 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 -4.032 -13.776 -8.588 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 -15.435 -0.259 -16.030 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 -5.194 0.338 1.756 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 -16.335 -0.960 -4.612 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 -13.466 -8.639 26.888 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 7.359 3.000 -1.743 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 8.805 -7.191 -2.196 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 -10.814 17.699 -25.893 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 -6.079 -2.021 -3.341 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 -4.202 5.066 -37.640 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 22.410 -15.526 4.670 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 2.999 1.587 -2.185 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 1.473 2.621 -3.578 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 2.556 1.342 -1.643 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 -3.079 -4.225 3.809 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 -9.243 -12.546 0.605 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 -8.418 -2.397 12.596 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 1.813 -0.723 6.334 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 -14.210 5.198 4.060 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 -6.315 -3.980 14.909 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 -5.774 1.440 -3.129 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 -10.046 1.238 8.428 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 -15.919 6.198 -9.290 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 -5.442 1.418 9.368 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 6.185 17.894 6.810 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 18.860 5.344 4.136 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 -0.300 3.482 -2.362 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 1.375 9.351 -18.856 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 2.237 -8.215 25.977 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 0.139 0.705 1.737 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 -10.449 8.261 -18.082 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 8.307 2.589 -18.023 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 4.042 1.982 2.329 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 38.844 -13.069 0.021 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 5.922 0.560 19.532 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 -3.984 -0.284 -1.081 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 -16.240 -1.968 8.475 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 -9.270 -10.945 16.961 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 -0.400 -5.700 2.506 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 14.564 5.126 17.551 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 20.023 1.068 -0.698 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 8.026 -7.679 -3.003 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 37.617 17.803 -18.987 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 -7.018 -21.765 0.803 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 5.061 5.459 3.938 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 9.763 3.527 -0.328 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 4.262 6.563 -12.478 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 -0.130 1.136 2.566 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 14.920 19.429 -4.970 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 -33.416 -2.764 -4.421 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 1.870 0.542 4.200 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 -6.241 14.390 15.819 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 14.550 -22.135 -12.831 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 0.530 -0.671 1.658 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 11.406 9.344 -5.343 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 3.369 -15.406 -4.452 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 1.335 5.955 1.521 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 -13.937 12.227 -4.168 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 16.832 -3.766 4.703 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 -9.349 -0.181 3.828 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 -9.415 1.369 7.319 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 3.500 -3.083 -8.195 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 8.417 2.678 -4.945 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 -6.652 -3.870 11.235 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 -0.052 28.449 -11.148 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 0.408 -0.621 -1.034 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 -0.036 8.673 5.396 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 -3.710 14.202 6.667 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 -2.799 -0.830 3.670 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 -4.263 9.300 31.538 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 -4.396 12.746 -1.028 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 -5.990 1.291 -4.396 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 -0.391 -14.375 13.409 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 6.117 7.471 -5.087 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 -2.873 8.058 1.429 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 -10.550 -10.113 -33.990 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 -9.645 14.259 21.153 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 1.935 2.262 1.078 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 -6.201 -10.708 16.456 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 28.143 -8.995 0.448 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 -0.011 1.340 -2.767 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 -10.723 -24.567 12.361 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 16.750 5.405 -1.663 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 1.897 3.331 -0.391 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 3.206 -7.588 -13.003 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 3.738 12.439 -0.987 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 -1.912 -0.656 0.684 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 2.753 -1.616 7.156 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 -3.537 -0.632 20.808 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 -5.816 0.681 -1.437 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 -2.389 -12.783 5.344 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 -2.043 11.024 4.087 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 -1.375 1.118 -1.673 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 -27.548 12.690 -8.863 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 1.954 5.610 28.723 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 8.907 0.249 0.257 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 16.229 1.981 13.856 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 11.148 14.423 -7.161 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 2.918 4.893 -2.280 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 -6.520 2.681 -9.254 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 7.395 -9.090 2.969 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 0.373 -0.492 -2.241 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 -4.618 5.428 -13.677 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 6.994 -11.572 -6.348 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 -0.462 -3.739 -3.927 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 18.633 3.876 2.646 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 -8.134 -11.231 16.941 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 -5.421 5.042 5.962 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 -14.054 14.808 3.853 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 21.933 17.646 -4.524 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 5.575 -5.382 -1.038 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 1.903 -13.244 -23.858 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 21.872 -22.287 10.367 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 -7.711 -2.486 -0.648 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 -13.815 5.752 -17.138 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 8.867 -5.886 6.220 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 -0.661 0.102 6.094 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 12.511 -4.205 10.168 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 -9.160 6.378 -13.096 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 -1.823 2.228 2.533 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 -38.396 -6.158 -12.547 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 -65.727 -3.925 0.888 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 5.625 -4.320 -2.464 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 18.300 -12.460 -3.819 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 0.263 -1.318 -2.159 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 -0.093 4.444 2.618 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 -6.284 -4.639 -30.722 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 4.727 3.555 -15.435 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 3.399 4.422 -2.234 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 -9.725 2.024 18.007 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 12.249 4.392 -18.374 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 -0.204 0.844 3.641 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 -7.372 -5.990 -8.454 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 -13.097 -1.424 12.723 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 1.870 2.612 2.060 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 2.333 1.417 -16.070 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 16.824 -10.013 1.895 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 1.878 0.585 1.109 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 2.433 -18.360 20.239 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 20.039 3.234 -28.238 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 -2.935 2.619 2.167 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 3.806 -25.876 -5.421 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 16.369 -6.937 -2.387 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 -3.561 -1.370 -6.301 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 -10.837 13.333 -26.233 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 2.284 -3.825 -2.420 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 6.181 -1.020 -4.686 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 11.609 33.261 5.012 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 1.977 -1.012 -5.317 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 -0.436 -4.162 -4.792 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 6.313 -11.488 -30.596 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 13.276 0.281 -17.095 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 -5.666 6.374 2.311 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 -6.642 5.055 4.082 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 5.518 -1.149 -15.487 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 -3.874 -0.933 -3.164 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 -21.478 -1.914 14.202 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 -1.370 -0.473 -9.989 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 -2.074 0.229 2.309 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 9.673 16.559 -25.796 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 -34.372 5.029 -2.526 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 -1.346 -6.840 1.546 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 -3.867 -24.223 10.483 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 16.429 -3.009 -0.343 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 -5.683 1.217 3.835 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 0.370 4.774 4.163 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 -13.028 4.360 2.147 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 3.487 0.329 3.230 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 9.802 2.971 27.276 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 -18.258 16.895 -16.867 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 4.755 2.374 -7.881 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 0.492 -15.093 -18.114 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 9.759 -7.305 5.254 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 -4.877 1.490 0.013 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 28.807 10.384 -1.881 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 -5.904 -2.292 10.687 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 -6.713 -5.524 -4.354 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 -28.437 3.060 -11.801 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 -12.299 0.859 -1.616 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 -5.212 -3.424 5.971 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 -10.163 -1.410 7.128 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 1.468 -10.500 -12.834 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 7.588 -5.363 -1.486 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 -0.521 -8.943 -0.365 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 6.051 -1.439 3.126 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 -6.169 3.615 4.522 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 5.270 19.238 7.901 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 -3.573 -6.365 -27.140 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 -6.647 2.133 -2.572 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 0.307 -6.109 -30.828 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 -13.140 8.269 23.628 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 -0.024 1.426 -6.158 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 7.898 4.000 1.153 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 14.544 4.176 0.288 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 -0.381 -0.317 0.140 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 10.299 2.629 -9.384 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 -10.360 -7.390 -6.776 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 -9.308 6.266 -1.116 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 10.488 -10.308 7.970 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 -3.292 -4.522 -3.321 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 -1.656 3.125 -4.342 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 -9.401 3.184 -6.589 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 3.784 5.194 0.794 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 -8.055 -3.466 1.928 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 -7.803 -3.449 2.332 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 3.226 -12.065 -2.698 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 2.227 7.459 0.120 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 4.921 15.460 3.993 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 -2.396 6.950 7.868 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 -3.592 1.718 1.511 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 -0.456 -9.488 6.050 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 -12.036 36.248 -4.703 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 -1.544 -1.800 -10.275 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 -3.781 0.344 -4.756 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 -2.952 1.476 -6.880 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 -0.770 1.989 -7.169 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 -24.038 8.726 -4.080 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 13.657 -11.614 9.902 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 -10.127 2.950 -0.488 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 -13.762 4.912 1.190 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 22.714 2.266 -47.106 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 -0.983 -0.360 -0.486 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 1.209 2.235 -2.796 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 3.087 14.340 6.824 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 -6.194 -2.284 0.214 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 -3.113 -2.916 2.144 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 -38.597 1.268 1.814 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 3.598 -5.795 -1.315 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 0.555 -6.409 11.092 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 12.030 -8.957 -6.128 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 -2.556 -2.236 3.944 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 -6.923 -2.298 14.670 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 13.953 16.036 6.655 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 -2.589 -8.916 -1.349 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 2.569 -12.313 -9.591 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 -16.164 -11.757 -17.438 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 3.431 2.958 6.895 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 6.461 17.336 8.618 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 -4.533 -18.143 7.366 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 -8.026 -4.203 1.274 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 -7.103 -11.201 4.437 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 23.782 17.900 -2.395 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 -4.881 4.605 -1.684 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 9.827 10.512 -20.721 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 -29.927 15.636 -5.161 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 -0.194 -2.556 1.341 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 -7.683 -9.270 1.976 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 18.304 17.221 -10.442 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 -0.803 -5.139 2.096 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 6.747 -8.369 3.769 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 18.284 -8.286 0.714 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 -0.576 -5.456 2.844 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 3.447 1.273 3.037 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 2.890 -11.332 6.533 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 5.957 -7.247 -3.286 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 -4.673 6.685 4.506 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 -5.213 -0.731 24.983 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 0.283 0.684 -1.938 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 5.243 7.332 -9.351 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 -10.072 2.934 -5.317 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 -1.455 -2.580 -3.683 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 -2.403 -2.315 -4.858 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 6.858 -12.845 -12.090 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 -0.130 -0.790 3.649 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 -3.438 -6.219 10.553 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 2.699 1.713 6.776 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 1.271 3.141 -0.803 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 4.776 -2.865 17.070 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 11.355 9.849 -12.747 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 -5.517 6.474 -0.194 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 -13.766 5.008 2.544 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 7.527 -5.218 -2.155 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 -3.780 -3.175 0.433 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 -15.487 -33.353 12.617 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 -8.203 -14.999 1.103 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 0.146 -8.090 1.042 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 -19.475 5.485 -2.418 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 6.544 -6.496 1.646 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 -4.281 3.266 0.112 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 -15.769 -4.111 13.775 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 -11.403 -9.006 3.532 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 5.372 -2.583 4.055 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 -8.759 10.294 -1.317 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 1.624 -6.573 4.379 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 10.448 0.984 0.368 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 4.085 -14.653 4.672 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 13.296 14.863 11.746 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 0.781 1.181 2.751 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 24.602 -0.818 19.792 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 -7.429 -9.463 19.099 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 -6.295 3.425 7.163 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 -10.995 -2.896 6.425 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 -7.183 5.894 -6.153 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 -0.956 -1.760 -0.831 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 -15.935 5.528 -22.653 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 4.594 -1.968 36.444 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 1.871 4.766 -2.333 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 0.488 3.894 -2.018 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 -5.920 -5.608 -5.166 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 -6.061 -2.617 -1.463 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 -8.703 8.993 -3.421 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 -16.279 -4.948 1.707 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 0.586 1.429 -3.672 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 0.801 3.332 16.924 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 8.641 -13.232 -10.031 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 -1.835 -5.722 0.015 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 -14.612 -8.848 -15.238 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 -4.395 -2.878 -1.649 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 0.386 0.282 3.567 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 5.266 -24.641 21.452 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 23.691 17.944 7.926 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 -8.175 2.447 -3.196 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 16.628 -8.941 -13.092 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 14.768 -5.736 -1.869 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 3.371 -1.981 7.819 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 -7.026 0.926 5.615 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 -1.233 -17.630 -1.670 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 8.207 -1.863 -2.742 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 6.201 -16.609 -9.603 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 3.168 -27.534 -14.463 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 0.827 -3.020 4.735 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 -7.862 16.094 -2.602 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 -10.040 -3.880 3.131 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 2.346 1.247 0.964 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 -23.072 27.409 -4.133 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 -23.516 -21.368 -28.347 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 -3.191 -2.137 4.548 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 3.001 4.077 -0.975 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 -15.316 0.521 5.856 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 -4.088 -2.840 3.344 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 -6.331 -7.377 -28.622 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 0.251 4.970 1.353 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 -6.312 3.218 1.535 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 -5.170 -5.141 -3.296 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 -8.407 3.885 15.192 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 6.628 2.011 -2.825 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 8.964 9.195 -10.757 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 4.337 -0.256 9.358 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 5.744 -5.827 -3.541 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 -2.879 -1.978 -0.195 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 -2.677 4.266 -14.015 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 -1.217 -2.660 2.523 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 -5.561 -12.148 8.313 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 -9.775 -4.309 -1.442 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 -4.412 -0.579 -1.574 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 12.463 3.404 5.757 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 -3.282 4.822 -1.698 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 1.650 -1.846 -5.337 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 -17.547 -18.603 -8.937 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 3.188 0.592 -3.792 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 8.728 -5.691 -2.178 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 9.061 -6.291 -6.065 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 1.514 3.269 9.729 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 0.713 2.874 0.462 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 -5.560 7.085 -16.178 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 -11.291 9.109 -5.506 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 -2.507 -0.580 -7.408 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 -20.442 -7.232 -15.070 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 13.529 3.894 -3.351 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 3.304 -7.010 -8.441 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 3.123 -18.096 -16.346 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 -4.055 -3.677 2.801 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 3.655 -1.517 1.816 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 -2.236 0.701 -15.460 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 7.577 -1.642 1.024 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 2.176 2.087 -8.628 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 -3.596 -0.373 6.737 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 18.159 -20.686 15.641 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 9.022 -1.399 3.970 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 10.374 -2.545 -1.164 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 10.268 2.732 -18.617 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 -3.798 -1.302 2.402 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 -14.953 8.068 -4.731 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 -9.370 -20.186 -5.978 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 3.899 -5.548 1.621 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 -37.069 4.748 9.328 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 1.617 -7.249 0.534 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 1.128 -0.734 3.134 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 0.346 2.093 2.846 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 4.062 -5.160 -10.294 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 0.583 -2.563 -7.765 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 7.741 -6.301 4.571 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 -2.224 -2.291 -6.897 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 -11.111 1.490 -1.015 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 -2.201 -9.324 -7.875 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 -2.160 -4.495 -13.387 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 -1.011 -5.609 -2.546 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 -26.869 13.058 -8.218 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 -1.160 -5.337 -2.932 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 2.338 0.603 -4.114 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 0.479 -17.458 -1.907 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 13.047 12.208 10.109 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 -6.881 0.738 -8.395 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 -2.644 -2.880 -4.395 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 6.477 -5.044 0.272 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 -1.524 0.867 -5.329 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 12.003 -13.911 -8.836 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 9.258 12.937 -18.946 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 3.330 -4.353 4.651 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 -1.699 -7.346 -7.973 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 -1.535 -10.054 -7.178 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 0.180 1.706 -1.027 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 9.033 -10.173 -8.584 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 -8.215 -11.353 -26.955 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 0.565 -0.037 -0.394 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 8.168 0.625 -5.676 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 30.382 -11.638 -10.273 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 1.667 -4.649 6.940 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 0.068 -5.862 5.478 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 2.934 31.260 -17.805 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 8.643 1.592 6.353 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 14.018 16.618 10.156 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 -28.628 -11.504 -41.313 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 -3.269 2.581 -2.486 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 -9.477 2.694 5.885 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 0.412 0.191 -2.765 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 -3.095 0.336 1.282 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 -11.176 3.792 -1.718 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 4.114 -1.372 2.885 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 -3.091 -2.175 -0.951 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 0.097 -25.482 -0.123 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 -2.136 -13.838 -0.119 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 2.575 3.162 0.315 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 5.716 9.232 12.876 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 -4.217 2.526 -4.906 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 2.077 2.980 3.947 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 4.752 -14.065 -10.232 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 4.312 17.815 13.746 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 5.367 -7.289 -4.630 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 22.910 11.524 -17.550 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 22.673 -10.289 7.688 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 3.278 -6.773 -3.488 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 4.548 -0.289 -7.210 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 11.612 -12.103 1.565 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 0.222 3.545 4.431 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 -10.182 7.185 6.648 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 3.155 -2.018 -6.453 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 2.788 -3.131 4.713 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 9.646 -12.132 13.686 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 16.712 10.488 17.501 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 -1.730 2.584 6.936 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 -2.557 25.430 14.124 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 11.346 -1.608 17.118 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 -7.913 -1.553 3.930 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 -0.382 2.241 -11.949 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 3.112 -1.236 15.059 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 -2.309 -0.584 -3.025 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 3.817 2.303 -1.661 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 -0.925 -5.921 -2.315 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 1.479 0.451 4.107 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 17.206 -20.115 -10.605 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 -6.650 0.802 8.982 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 0.871 -1.580 4.734 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 6.721 -3.212 10.520 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 16.945 7.238 -4.599 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 -2.466 1.884 -0.856 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 -37.800 21.261 27.860 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 -2.544 2.971 9.188 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 -1.379 3.786 0.439 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 -14.767 -42.657 1.896 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 -7.572 -14.184 -14.171 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 -2.187 7.127 -0.355 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 -1.173 2.358 -22.232 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 -0.265 16.213 30.744 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 5.377 -2.608 -5.264 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 18.674 -0.522 -0.629 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 36.781 -5.179 -24.810 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 0.158 -1.571 -5.288 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 1.341 15.046 18.174 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 -24.279 1.335 -18.979 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 4.477 -3.911 0.520 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 -6.117 -8.046 -16.486 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 -21.937 -10.395 2.569 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 -1.808 -4.764 -7.771 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 17.119 -3.246 32.081 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 15.286 -6.148 -3.045 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 2.553 -0.724 5.282 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 -9.941 17.578 8.999 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 13.473 -3.149 24.255 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 -3.841 -9.347 6.219 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 -10.568 -14.107 -4.517 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 2.352 -4.937 -1.311 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 -2.132 -1.159 -2.733 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 -3.501 14.042 20.270 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 25.662 2.618 0.518 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 5.769 -2.073 -5.738 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 10.233 -2.033 5.626 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 0.532 8.214 -6.778 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 2.494 -4.749 2.452 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 -31.012 -14.678 -1.278 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 -17.199 -6.286 -3.573 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 -0.022 -4.038 3.576 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 4.601 -4.865 6.868 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 -2.704 3.029 3.309 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 -0.521 -2.655 1.489 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 -5.387 -1.536 -5.437 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 -3.586 -6.150 8.321 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 1.248 1.898 -2.388 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 -22.362 -6.527 5.410 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 6.926 -5.999 -25.257 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 -0.692 -3.555 -0.701 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 9.693 -4.089 -10.504 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 -6.926 -0.895 6.665 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 -4.068 -6.809 2.894 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 -3.690 -8.709 -2.526 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 -0.492 -4.953 15.088 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 4.124 1.890 0.460 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 9.332 13.501 -1.110 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 -2.896 7.880 -1.591 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 4.984 -4.966 2.041 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 10.684 -5.633 1.750 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 -22.897 -7.210 4.348 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 3.564 -1.120 0.887 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 0.547 -5.198 8.378 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 7.363 3.333 -8.264 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 -1.943 -4.419 -2.229 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 1.909 -6.168 -4.637 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 -5.083 5.098 -6.227 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 -1.063 8.767 1.429 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 6.766 -25.532 0.562 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 14.395 3.050 16.625 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 1.183 3.756 -4.917 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 -6.498 1.365 9.062 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 -9.660 6.331 14.377 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 0.308 4.772 -3.944 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 2.489 14.884 -3.265 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 5.237 -20.573 -9.529 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 -7.317 1.305 -3.622 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 -9.072 2.844 -5.608 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 -11.147 8.398 -3.321 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 -8.478 -4.371 -0.163 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 7.307 3.215 2.436 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 -9.921 -5.322 11.178 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 -3.646 -1.445 0.824 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 17.242 -11.037 -13.603 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 13.199 -5.110 -15.215 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 4.533 6.391 2.369 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 -2.663 19.886 1.895 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 -5.225 4.915 -11.346 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 -1.209 -3.135 0.166 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 0.989 6.123 3.571 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 4.059 -4.270 -7.919 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 2.470 -1.807 5.985 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 -5.599 -6.208 -1.104 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 -6.020 -11.982 -8.791 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 5.508 7.535 10.837 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 -6.691 20.234 -0.539 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 1.741 7.071 12.661 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 -3.031 -1.765 -7.180 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 13.368 7.216 -21.886 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 -9.028 -2.295 -5.487 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 -0.067 -2.954 -2.520 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 -2.612 -12.303 -26.124 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 -13.961 -13.120 5.028 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 -3.395 0.465 1.352 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 -2.385 -1.784 3.758 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 -1.301 5.465 1.622 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 -2.749 -0.821 3.980 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 -3.507 -7.897 -2.761 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 -22.399 -27.905 -12.810 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 -1.857 1.476 -1.694 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 0.669 -13.249 19.367 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 -13.893 -7.703 -16.161 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 -7.014 -7.952 1.175 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 -2.187 -12.830 15.545 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 -5.838 -4.240 -1.108 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 2.446 5.881 -1.539 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 -1.263 15.743 -6.563 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 3.337 -0.130 -6.979 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 7.253 -0.153 0.776 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 12.975 0.368 0.141 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 -51.151 -3.424 21.172 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 3.956 -2.854 -5.903 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 -0.740 -1.086 -8.972 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 4.437 1.561 24.849 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 3.395 -5.285 0.426 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 5.471 -2.885 1.627 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 1.109 -4.683 2.611 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 -3.056 -1.634 7.646 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 -8.722 -2.782 16.346 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 -0.632 1.428 5.849 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 -4.588 -0.451 -3.621 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 -2.080 -8.667 6.006 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 -11.693 1.512 -3.920 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 -0.816 2.232 -1.813 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 7.326 6.916 -3.700 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 -6.815 -5.926 -4.675 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 3.546 -0.433 0.275 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 -4.183 14.813 0.840 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 -9.732 -6.093 -0.507 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 0.174 0.212 -3.834 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 6.600 27.025 8.993 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 2.987 -37.809 -0.078 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 -11.827 -1.860 -1.601 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 -13.581 14.384 -4.150 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 -13.471 -10.735 -11.743 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 0.265 1.113 -1.069 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 -0.223 9.398 29.560 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 -23.342 -8.959 -0.456 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 7.860 3.426 -1.091 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 7.121 -14.229 20.467 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 27.427 -10.406 -14.497 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 -3.238 2.159 -1.433 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 -0.161 -9.625 -24.463 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 14.492 -12.480 -7.055 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 6.892 -2.519 0.100 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 5.847 -7.954 3.310 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 0.400 1.603 -6.548 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 -1.830 -3.670 -3.112 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 -14.908 30.132 -26.646 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 -7.277 -2.513 -14.666 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 -4.448 -10.559 2.015 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 7.976 6.990 11.478 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 17.401 21.363 -31.398 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 -1.959 -4.746 5.090 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 -5.730 -5.089 5.110 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 5.488 21.999 0.003 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 -1.270 -2.698 4.851 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 18.993 -27.652 -17.576 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 -5.246 -0.960 6.977 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 -11.817 6.501 -6.556 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 -3.796 -1.843 4.733 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 -13.308 -4.494 -2.480 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 0.386 5.391 2.971 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 -2.914 -0.038 3.965 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 2.446 -6.583 2.783 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 9.727 -0.140 3.183 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 12.335 -0.450 1.790 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 -3.911 8.527 12.455 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 0.326 -2.654 3.498 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 -0.649 -2.042 -5.093 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 21.100 8.399 -14.408 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 10.316 5.826 6.201 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 -31.007 -9.667 -2.620 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 -17.720 2.473 2.005 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 -1.230 0.716 -3.134 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 2.157 1.692 -7.271 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 -21.704 -20.769 -0.484 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 4.862 0.209 4.020 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 2.040 -0.835 -2.036 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 -1.517 -2.260 -8.498 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 1.858 -2.806 -2.868 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 -3.399 -8.330 6.583 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 0.153 -1.103 8.032 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 5.163 -2.257 2.620 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 24.027 20.177 -3.577 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 -10.685 -23.692 10.590 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 -0.174 1.259 6.052 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 -12.472 5.660 24.317 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 13.757 -0.529 -6.904 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 4.932 0.437 -1.264 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 19.712 -10.267 -1.450 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 3.982 12.763 -13.850 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 1.228 -0.007 -3.944 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 -5.100 -16.742 2.654 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 -1.051 3.858 -3.555 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 4.524 4.280 -1.262 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 2.821 5.015 0.145 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 -3.376 -19.654 -6.890 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 -0.088 1.816 -1.596 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 20.871 3.590 -9.045 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 -0.564 -11.970 18.283 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 3.818 4.798 1.787 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 -7.589 -2.515 1.654 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 -19.030 21.408 -7.567 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 -4.423 -2.599 3.309 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 -12.426 -5.273 1.982 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 4.795 -3.530 4.796 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 -3.704 -5.515 1.658 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 10.589 -11.498 -22.493 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 18.963 17.109 9.186 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 3.631 4.704 0.252 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 15.631 -24.156 -2.243 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 18.108 -7.333 -10.035 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 3.229 -1.244 1.968 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 6.534 3.863 0.762 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 8.195 -0.757 1.916 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 2.119 -0.320 -3.549 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 1.500 -20.724 0.258 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 3.484 3.062 3.739 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 -6.632 -5.439 3.515 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 3.667 -7.428 1.726 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 -10.110 -2.543 -2.152 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 -3.491 -0.318 -11.342 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 -4.639 -4.639 0.902 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 -2.191 -1.990 -14.018 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 -4.036 7.884 -3.787 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 3.568 4.084 7.089 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 -2.531 9.713 6.329 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 2.936 -4.215 -1.633 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 4.286 10.692 -7.706 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 12.523 -2.261 -3.927 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 2.206 7.393 -5.786 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 0.297 8.420 12.697 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 5.031 25.298 -11.934 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 -3.016 -3.666 -2.214 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 -9.302 -4.171 -0.141 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 8.847 5.226 10.570 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 2.661 -1.566 3.536 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 12.601 -5.847 7.190 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 -6.430 -6.548 -1.205 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 -3.917 -1.369 -0.727 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 7.007 7.773 13.833 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 8.549 1.450 -21.021 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 -0.995 3.768 -0.806 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 6.386 1.474 12.626 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 -5.447 10.180 -0.331 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 1.287 -4.360 -6.205 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 -18.578 -16.171 -11.637 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 -11.747 -18.345 6.663 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 6.039 0.691 4.738 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 16.008 1.692 4.147 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 4.337 -5.480 10.257 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 -0.996 0.229 0.505 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 2.228 12.963 25.331 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 -0.071 14.441 -13.407 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 4.012 -3.766 1.638 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 -2.975 20.060 -7.743 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 0.237 9.965 -3.820 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 -0.175 -4.026 5.520 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 -3.500 -3.914 -36.276 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 -0.889 11.361 -31.435 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 5.484 6.997 1.298 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 5.838 3.576 -0.376 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 3.351 4.587 5.493 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 -4.073 -4.330 -6.326 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 -4.610 -4.221 -7.502 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 0.904 -3.269 -9.114 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 -2.361 -6.354 6.380 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 -20.473 -4.987 -1.372 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 2.281 -6.977 6.892 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 -0.585 2.214 -1.851 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 -0.652 10.767 -1.056 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 -1.383 24.666 -0.715 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 1.249 2.765 -2.891 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 3.047 14.910 -6.484 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 8.245 3.400 4.066 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 -0.352 -8.994 -8.513 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 -18.678 -8.484 5.305 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 -0.840 -3.376 4.909 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 7.438 -1.517 -1.074 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 -5.211 -22.740 4.319 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 25.491 12.515 -12.150 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 0.380 2.656 -2.690 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 7.788 1.332 -2.169 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 6.051 19.089 5.698 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 1.949 -4.970 -2.486 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 14.170 -23.323 -7.425 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 -10.350 14.674 -17.177 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 3.590 1.781 2.151 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 1.997 -1.921 -15.359 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 -15.920 4.247 -1.490 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 -3.195 -1.498 0.969 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 -3.606 1.658 -0.230 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 -14.994 8.227 -21.065 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 -1.138 5.699 -1.209 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 22.881 -7.860 -5.419 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 6.197 32.543 7.030 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 1.766 2.823 4.471 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 3.893 7.728 -1.106 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 22.639 -17.156 19.441 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 -2.475 4.126 6.423 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 19.057 -3.504 13.243 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 -17.574 -6.026 -21.442 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 3.102 -2.197 -5.128 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 -2.970 -19.557 -11.908 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 -6.500 6.391 -0.549 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 3.359 3.714 -4.000 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 -6.818 -9.111 -13.304 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 16.449 5.845 10.846 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 4.901 -0.946 -0.423 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 -1.121 -8.819 -8.685 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 4.196 11.121 -5.432 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 2.991 1.283 0.219 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 -15.314 -16.726 0.368 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 14.096 12.415 -0.215 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 5.520 -1.860 -4.470 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 -9.178 -6.469 8.340 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 -7.474 -11.676 -4.221 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 -2.874 -0.649 7.302 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 -2.682 -4.021 9.359 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 -2.317 0.568 4.643 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 3.998 -2.979 7.730 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 -1.347 22.152 -21.795 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 -7.694 -1.848 -1.305 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 3.274 -1.978 2.640 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 6.917 15.782 7.311 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 -2.505 -11.446 16.544 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 1.183 4.701 0.548 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 -10.482 5.589 11.667 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 8.885 6.355 -5.506 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 -8.303 -3.014 10.945 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 10.907 3.231 -3.100 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 -18.928 -8.106 20.184 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 -0.653 -4.318 -4.169 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 -4.183 -2.384 -1.213 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 -5.789 -9.632 1.504 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 12.526 0.945 4.758 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 -11.837 -14.801 3.573 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 4.956 5.026 0.892 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 1.976 -3.355 7.718 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 -37.137 12.275 33.791 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 -23.076 -0.180 18.931 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 7.512 -11.135 -3.456 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 -14.943 -15.421 -9.538 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 -4.864 8.242 -20.154 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 -2.720 9.364 -1.764 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 2.455 -0.440 6.627 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 -8.291 12.928 5.502 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 -5.726 2.424 -1.062 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 4.359 2.003 -7.248 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 -13.737 -3.100 -7.471 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 1.638 6.507 -3.762 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 0.409 3.323 -13.924 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 1.689 1.388 2.791 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 -0.553 4.378 2.686 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 -0.646 -19.195 -14.043 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 -11.258 -5.088 -19.670 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 1.960 -1.823 3.277 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 22.990 -11.751 5.547 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 -9.791 -17.585 0.310 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 5.489 -1.499 2.516 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 7.690 1.040 -3.846 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 9.158 0.358 -10.590 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 -4.690 3.539 3.811 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 -7.107 -18.005 -12.441 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 0.387 -6.291 10.086 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 -1.336 1.532 -1.963 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 17.794 8.481 9.700 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 -13.475 20.801 -7.685 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 2.457 -0.415 -4.393 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 14.454 10.625 8.623 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 1.501 -26.679 -12.591 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 -2.155 9.786 -9.603 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 -8.743 20.867 -7.656 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 -10.470 -5.765 -13.571 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 -7.794 3.343 -2.312 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 8.774 14.426 -9.406 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 -21.657 -12.547 -12.725 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 -1.744 3.028 3.523 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 -10.406 11.001 9.228 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 -5.467 -7.812 8.094 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 3.474 -5.944 -0.689 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 -1.733 -0.802 0.099 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 6.144 -0.786 -13.175 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 0.765 -5.200 1.099 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 12.245 -2.436 -2.996 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 -19.652 -14.617 1.203 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 2.238 1.143 -4.153 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 18.788 -5.236 -11.879 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 -10.766 10.379 -1.281 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 1.235 -0.697 3.088 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 15.747 14.201 -17.194 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 7.320 25.029 -0.286 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 -8.104 -4.067 -3.210 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 -2.753 12.533 8.522 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 -36.615 -0.628 -16.160 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 4.391 -3.542 0.900 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 9.187 -9.221 2.281 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 6.666 -2.008 -5.456 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 11.162 -3.022 6.622 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 -4.959 9.700 10.076 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 17.084 -21.020 -4.763 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 -1.011 1.112 -4.067 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 -1.693 2.792 -4.341 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 -2.034 -5.185 -3.014 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 0.616 -3.992 5.088 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 -1.988 -9.376 11.728 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 8.349 -3.260 7.505 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 -1.786 -3.827 -8.245 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 9.834 -11.166 8.122 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 -24.581 -13.699 3.166 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 -5.768 3.929 2.940 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 -20.656 16.501 5.794 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 22.317 -12.217 -4.765 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 7.364 6.209 -1.746 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 15.827 -0.621 27.402 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 21.848 7.769 -8.023 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 3.297 8.087 -0.696 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 -4.748 -17.265 -1.079 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 17.646 -8.089 -22.119 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 -4.627 -5.816 4.299 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 -5.577 -21.183 -13.210 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 -21.188 10.492 -3.151 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 -6.104 -4.941 4.895 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 -23.904 -6.590 10.409 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 8.323 -10.386 -4.379 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 -4.900 3.441 -0.742 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 -3.977 13.427 -3.779 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 -1.295 -18.189 10.420 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 -6.562 -4.559 -3.594 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 -26.487 -35.112 3.315 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 -0.205 5.286 -5.557 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 1.790 -4.489 -2.242 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 2.723 -6.201 -3.686 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 -12.298 23.571 7.347 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 -0.163 -8.070 -0.552 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 3.870 5.640 -19.508 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 -11.519 -25.835 21.529 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 -2.770 6.381 3.478 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 11.417 9.008 0.828 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 -8.022 1.393 1.251 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 5.379 0.366 1.511 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 12.984 -10.004 3.779 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 8.311 3.046 5.488 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 -1.954 7.635 -2.879 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 0.869 4.309 12.155 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 5.145 -4.900 -10.312 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 5.514 5.706 4.954 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 0.703 6.744 -7.705 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 -4.448 11.380 -26.785 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 -4.694 -2.114 -6.850 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 16.428 -2.319 8.507 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 14.984 -12.902 -33.989 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 1.795 1.198 -3.454 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 19.577 8.141 -3.701 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 2.558 -9.582 3.692 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 10.257 1.582 -1.619 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 2.856 -8.142 -8.825 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 16.669 2.322 21.652 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 -0.081 -4.387 7.806 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 3.148 -20.275 -14.189 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 0.763 -12.471 -14.219 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 -6.260 5.695 4.796 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 -1.284 -8.052 8.452 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 -0.516 -9.666 8.808 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 0.856 -1.889 7.611 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 -8.745 16.023 -18.832 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 20.309 -2.557 13.099 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 1.914 -3.806 0.375 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 -3.944 23.265 3.251 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 -3.771 3.779 5.851 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 0.949 -4.582 -2.270 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 -6.011 -6.003 -8.745 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 1.542 7.047 -0.108 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 -6.836 4.472 1.134 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 9.206 -4.622 -3.031 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 -23.868 19.650 9.423 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 -1.581 5.087 2.172 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 -16.220 7.516 4.334 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 1.114 12.199 -10.646 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 4.309 4.019 -0.896 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 -13.040 8.606 -15.982 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 11.191 -23.133 -0.899 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 -2.320 -0.383 -1.117 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 -9.564 11.407 -6.153 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 8.342 -11.301 9.604 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 5.855 -3.387 -6.350 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 -16.146 -3.411 -0.717 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 10.060 -2.645 -10.251 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 1.235 -5.731 -3.944 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 8.773 -3.886 14.252 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 3.263 -12.080 6.482 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 -3.739 9.468 3.126 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 6.966 -3.191 -11.574 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 7.374 3.992 -11.055 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 -3.326 3.395 1.530 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 28.083 13.511 -3.605 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 -18.600 -13.324 12.622 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 -5.936 -1.113 -0.982 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 -25.736 -15.683 -0.427 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 -19.436 15.628 12.954 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 -1.369 -2.851 -4.219 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 1.894 -10.059 -12.094 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 1.078 -8.526 -10.195 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 -1.584 -0.314 7.351 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 11.343 0.487 -5.899 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 -20.503 -8.285 1.912 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 1.094 -1.564 3.464 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 -8.084 -6.939 -2.315 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 1.123 4.843 6.934 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 -0.058 5.112 1.855 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 -13.901 -6.112 12.443 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 6.213 0.791 -6.624 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 1.904 -0.727 -4.648 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 18.926 13.335 -14.896 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 9.870 -14.178 -3.570 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 0.206 2.801 -5.327 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 16.147 3.568 -16.142 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 -18.823 -13.009 -26.038 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 -2.806 -1.344 6.931 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 -12.427 -6.871 29.569 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 5.721 -25.957 -6.901 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 4.008 1.909 2.291 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 11.699 12.164 5.511 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 -5.299 -10.995 -1.936 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 -0.962 8.713 -5.377 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 15.621 -10.137 -17.560 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 -27.226 -9.900 10.573 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 -5.729 4.754 3.392 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 -12.682 -10.802 10.448 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 -2.425 10.278 0.516 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 9.322 1.737 0.559 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 -0.584 -10.423 -8.627 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 3.418 11.162 8.597 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 1.064 6.097 -3.938 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 -4.779 -16.585 0.237 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 -19.113 18.253 3.529 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 3.124 5.012 2.990 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 2.321 -2.518 -7.481 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 -1.701 4.564 8.751 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 4.060 8.000 -0.199 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 -17.670 17.402 6.410 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 7.841 2.265 14.144 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 -9.183 -7.091 -2.041 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 -12.598 -9.820 4.407 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 -6.440 -2.894 -7.102 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 -2.166 -5.931 6.237 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 4.753 1.752 -1.285 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 15.214 13.738 -13.153 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 4.981 2.357 4.638 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 -11.051 6.180 -1.647 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 -1.560 -5.062 -0.413 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 -3.951 3.583 1.907 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 5.986 5.366 7.178 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 -16.871 14.836 -6.080 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 2.054 2.614 -4.169 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 -1.410 -8.084 -5.576 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 8.724 28.682 -0.456 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 -3.313 -5.012 0.218 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 5.168 -23.139 8.336 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 -2.557 9.922 -16.652 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 2.647 -4.475 -7.496 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 11.490 33.232 -9.275 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 18.876 -10.173 -12.559 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 -0.201 -9.559 -3.520 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 -17.399 -16.255 6.950 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 7.258 12.453 -25.770 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 -2.605 -8.313 -4.633 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 27.968 -37.491 4.314 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 -19.115 5.388 -0.605 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 -9.084 -0.650 4.162 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 -21.108 -17.593 -5.712 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 11.003 -21.019 -13.685 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 3.260 -0.903 3.404 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 -0.850 -0.141 1.567 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 16.597 -16.091 14.831 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 3.177 -2.636 -0.783 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 -0.343 -5.959 -2.434 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 2.620 -0.943 0.095 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 9.662 1.520 -6.384 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 34.323 -1.377 10.297 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 -3.944 -1.775 -13.070 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 -5.655 1.982 9.906 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 0.696 -8.848 13.065 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 3.108 -7.291 -2.791 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 7.274 1.202 5.267 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 -11.676 6.093 9.867 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 -6.243 23.735 -2.581 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 0.589 7.292 -0.777 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 27.849 8.603 -7.753 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 -8.931 12.291 -19.907 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 -0.729 -2.675 -2.952 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 4.609 22.772 2.326 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 10.736 14.096 1.684 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 -2.814 3.587 -8.282 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 21.973 -18.367 22.204 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 -19.869 -20.126 6.571 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 -0.310 -2.587 3.180 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 -1.138 21.468 -15.967 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 -16.608 16.819 10.819 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 1.102 1.619 -3.345 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 2.585 28.451 3.452 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 6.896 -8.086 9.665 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 -0.251 -0.632 0.251 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 10.698 -2.980 -3.659 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 10.784 -7.124 -16.212 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 -3.252 -4.885 1.937 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 25.111 20.501 18.167 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 -37.911 -34.753 23.511 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 -3.831 1.815 6.327 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 8.121 -1.110 5.341 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 -3.468 -13.712 10.045 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 -7.403 -3.556 -0.157 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 -19.414 29.993 -8.418 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 -5.222 -9.208 -26.714 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 -5.692 -0.359 0.606 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 6.644 -1.692 -22.157 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 -9.574 -0.258 -4.266 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 -0.336 8.677 -0.912 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 -8.454 -3.021 -6.857 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 21.507 1.480 0.155 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 3.303 0.808 -4.546 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 8.861 22.010 21.352 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 4.941 0.641 -3.377 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 2.002 0.539 -1.613 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 9.443 14.758 10.763 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 8.244 7.834 12.519 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 -3.890 4.475 9.964 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 4.076 10.572 11.137 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 -8.214 6.611 0.556 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 -2.411 0.746 -0.203 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 -15.003 6.129 4.785 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 2.467 6.348 13.433 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 1.775 -2.117 -0.325 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 4.140 3.524 7.482 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 1.885 -0.934 -0.166 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 1.708 2.513 0.988 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 -15.065 -5.673 -5.300 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 1.089 -5.979 -7.280 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 -7.675 -2.908 -3.072 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 -24.469 -6.451 -16.169 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 2.679 -3.416 -20.456 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 -3.270 -2.429 -3.664 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 4.983 3.618 -14.008 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 6.411 1.133 -8.323 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 -7.787 -4.443 -6.415 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 -9.437 -3.181 -3.265 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 -4.816 -9.569 -5.081 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 -1.938 0.110 3.917 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 0.183 18.633 -6.340 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 0.204 15.613 -10.034 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 -3.806 1.434 4.355 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 1.698 13.142 -9.988 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 -10.524 7.575 -0.882 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 3.513 5.231 2.780 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 -2.893 11.442 2.888 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 8.955 -1.054 3.624 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 -1.897 6.867 -1.095 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 -2.322 5.925 0.369 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 -2.650 12.614 -6.495 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 -1.575 2.613 -1.197 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 7.679 -5.445 -6.703 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 12.854 13.495 7.935 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 -3.606 -3.701 3.496 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 13.665 3.955 -11.298 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 12.478 4.005 1.992 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 -8.247 -0.126 -3.118 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 -5.997 -3.329 -3.688 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 -8.167 -0.872 -4.938 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 1.399 1.055 0.007 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 -9.553 32.660 29.162 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 -0.005 8.214 10.839 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 -1.777 -3.368 3.740 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 32.698 8.807 7.550 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 17.833 20.337 4.324 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 3.224 -2.703 1.745 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 10.782 -12.490 12.246 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 11.993 0.482 8.535 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 -3.566 -4.129 -3.290 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 1.313 -11.436 1.007 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 -6.141 0.697 -14.643 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 -1.993 -5.883 -9.429 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 7.109 -0.620 -15.516 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 -5.173 -7.532 -7.839 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 -5.809 -1.268 3.976 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 -3.394 -2.149 14.144 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 -2.763 8.451 1.300 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 -1.927 -2.588 -1.514 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 22.443 -17.545 -10.540 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 6.778 15.535 12.237 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 0.062 -1.515 -4.788 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 12.036 -9.034 -36.058 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 -25.014 -0.779 4.676 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 -3.875 2.899 -5.727 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 18.050 -18.363 -20.799 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 -8.773 -18.353 -4.313 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 1.986 2.916 3.066 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 13.545 15.295 17.891 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 -2.903 21.551 -1.782 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 -2.922 1.031 3.851 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 7.141 18.242 2.445 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 -6.991 -2.176 4.827 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 -5.903 2.633 -4.095 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 -13.800 12.706 3.036 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 9.705 -2.950 -4.950 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 0.493 -2.528 -1.237 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 -19.141 -14.079 19.068 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 -26.179 -2.670 11.604 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 -6.762 0.556 2.206 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 -0.577 17.969 -4.043 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 -26.779 -2.524 -4.861 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 -2.688 -3.561 0.068 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 5.819 -1.809 -12.941 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 -13.728 -0.996 -2.688 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 0.195 -1.330 3.812 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 -3.205 17.730 -4.840 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 19.272 -11.684 -13.696 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 -2.724 -3.231 -2.723 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 3.863 1.032 -1.839 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 -1.132 -0.531 -9.358 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 3.237 -2.979 1.690 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 8.115 7.560 4.709 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 3.314 14.464 -2.890 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 -3.942 -0.874 -0.050 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 -9.710 2.405 -19.085 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 18.891 -0.725 -12.360 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 0.589 4.172 1.978 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 4.381 -0.735 -5.423 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 -9.119 10.762 -3.043 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 -2.765 2.137 2.541 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 10.222 -10.013 8.242 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 -21.846 -8.026 7.289 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 8.366 -4.119 8.026 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 -1.960 -22.811 -9.238 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 -11.826 0.865 26.803 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 -2.075 -6.979 -2.974 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 2.500 3.977 -22.857 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 18.883 17.937 -27.249 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 -8.171 4.685 1.009 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 -9.644 6.559 -1.635 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 -15.220 3.615 3.707 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 -7.239 0.147 0.131 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 -10.073 4.282 43.744 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 -9.792 -6.304 17.902 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 -1.226 -2.583 -2.141 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 -8.585 -2.921 -4.369 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 -2.602 -3.632 6.434 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 -1.718 -8.901 3.127 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 -0.536 14.709 -2.822 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 -7.786 -5.520 -9.917 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 0.511 1.446 1.427 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 -15.152 25.566 -7.053 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 -3.646 -2.644 -1.716 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 1.740 -0.859 0.924 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 -2.123 22.593 7.741 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 3.243 -6.788 -0.678 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 1.906 -2.282 -1.106 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 30.849 -1.889 2.998 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 -5.589 4.965 -16.689 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 1.592 0.011 1.498 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 3.416 8.338 -11.388 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 -4.271 4.944 1.211 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 2.615 3.859 2.523 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 3.552 0.594 3.907 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 4.347 16.766 3.695 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 1.951 -0.808 -1.794 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 5.568 10.400 20.038 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 21.024 3.771 -17.235 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 -4.171 -3.281 1.631 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 -20.367 -15.543 13.534 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 -15.812 11.256 5.296 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 -4.725 3.633 4.464 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 -11.829 -16.232 10.066 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 -6.090 2.097 -0.118 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 -0.825 -1.984 9.000 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 3.692 -17.518 -5.750 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 -17.254 -4.283 9.692 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 -8.026 -4.354 -3.509 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 38.178 -1.845 -7.507 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 -3.014 8.292 11.227 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 9.281 -0.085 3.183 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 15.513 -8.252 -25.448 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 -17.032 4.904 -3.622 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 -0.757 -1.544 10.996 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 -9.446 8.171 -0.204 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 -3.147 0.163 -15.775 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 -1.414 -1.489 -2.156 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 -9.089 -2.622 10.606 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 -3.900 -3.325 14.074 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 2.718 -7.291 -0.781 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 -21.580 -26.976 -7.686 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 -22.637 14.808 -18.237 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 0.620 -4.830 -1.432 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 3.314 -1.795 5.291 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 1.330 -7.535 -38.371 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 3.742 5.464 -9.036 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 24.242 2.773 13.624 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 6.950 7.531 -1.194 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 8.140 -3.741 -3.085 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 -0.821 -9.740 -1.716 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 -11.834 -12.334 -9.021 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 -0.899 0.548 -2.313 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 -12.901 6.341 -6.462 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 -10.810 -0.686 -3.934 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 2.419 5.750 1.562 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 29.414 24.075 -15.941 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 -33.130 9.339 -20.614 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 0.758 -3.081 -8.468 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 1.458 -7.431 -16.683 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 -25.274 14.883 14.830 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 1.322 -2.109 -6.069 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 3.336 -11.872 -3.708 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 1.232 -3.211 9.494 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 0.987 -0.600 -2.488 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 5.379 -3.825 10.411 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 2.522 -10.784 -3.141 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 1.292 -1.267 -0.305 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 21.790 -8.480 -0.056 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 2.428 2.367 -23.289 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 5.721 -4.212 2.162 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 -8.299 -3.170 -24.980 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 14.663 -5.435 -11.047 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 0.098 -9.404 -6.552 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 6.051 10.560 6.833 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 0.833 14.602 3.181 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 4.199 -4.400 3.865 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 -5.095 7.628 -11.995 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 3.009 -6.018 4.003 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 -8.099 4.219 1.802 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 -0.012 -4.720 -12.835 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 15.186 9.351 0.794 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 3.755 0.304 -0.042 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 -3.774 3.311 -2.853 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 -10.840 4.936 -3.489 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 2.630 -2.711 -5.561 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 9.309 2.864 -14.205 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 2.834 -0.115 -4.391 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 3.901 -7.589 -3.539 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 12.871 -24.179 7.327 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 13.388 1.222 -19.034 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 1.594 8.759 1.669 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 -10.928 22.841 14.810 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 18.411 16.137 -6.084 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 0.991 -3.038 -5.385 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 -15.564 30.477 -4.305 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 5.508 -25.134 -7.897 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 3.265 -2.295 0.860 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 -39.900 -6.244 -7.414 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 -2.285 -24.836 35.202 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 3.268 0.297 -4.608 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 -0.307 1.169 8.639 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 10.120 -8.657 -11.039 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 0.015 -5.260 1.698 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 -32.991 -16.761 26.436 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 -13.206 -8.991 7.003 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 -5.684 -3.549 2.604 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 -6.425 1.387 5.085 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 2.710 3.288 3.100 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 2.039 2.029 -4.654 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 3.723 -7.690 -19.293 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 3.629 -27.416 -30.121 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 -4.864 2.047 3.860 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 -8.140 0.822 11.731 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 -1.143 -1.407 -8.158 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 -4.250 1.636 -1.149 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 -10.027 6.839 -4.787 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 -3.685 -5.466 -2.735 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 -2.514 -2.346 1.823 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 -5.373 -3.157 2.690 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 17.926 -4.211 -4.220 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 3.197 -1.375 2.214 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 14.412 -3.957 4.947 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 8.872 -5.182 -4.051 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 3.697 0.691 1.236 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 -7.766 -3.523 6.657 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 15.744 -18.650 -1.619 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 1.734 -1.745 -0.887 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 36.400 1.394 -3.128 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 -8.341 25.885 -19.526 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 -6.577 -3.682 -2.651 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 -10.074 11.547 8.551 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 -2.268 -10.491 -6.053 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 4.953 -6.959 5.455 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 9.041 -9.547 4.031 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 1.299 -5.320 11.831 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 9.316 3.922 -1.517 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 38.853 -8.105 -13.056 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 -9.264 -20.510 1.393 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 -1.538 -0.511 -3.084 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 -7.168 27.810 29.239 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 -3.602 -8.278 13.194 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 2.161 1.028 -0.501 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 -1.788 2.783 -3.457 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 -4.213 5.582 31.280 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 4.176 1.213 6.565 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 8.795 4.918 13.214 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 -23.792 4.276 -3.922 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 -1.277 5.126 8.991 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 -12.777 -6.129 -2.612 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 -3.725 -5.613 22.920 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 1.243 2.204 -1.053 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 -5.924 -2.625 12.013 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 7.223 12.014 -15.936 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 -1.101 1.052 7.018 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 12.269 -7.639 -17.312 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 -7.270 -36.936 29.893 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 10.599 -0.043 3.400 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 6.387 -13.248 -4.384 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 15.573 3.010 4.724 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 -5.519 7.652 0.350 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 -1.265 -6.142 6.703 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 10.439 0.684 11.981 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 -4.399 -1.117 -3.917 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 5.180 -0.360 -13.666 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 -13.497 9.806 8.200 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 2.480 -5.825 1.704 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 2.943 -5.934 -27.161 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 -4.698 -13.607 -10.313 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 1.565 -7.001 5.624 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 9.186 -5.536 4.356 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 8.329 -8.318 3.930 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 2.458 0.913 2.898 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 29.163 -28.491 -11.401 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 -22.147 -39.333 13.992 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 -1.595 1.782 -2.582 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 6.448 1.337 -4.318 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 8.958 -0.118 -4.747 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 0.331 5.220 -1.815 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 5.422 3.522 -7.654 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 1.861 4.167 -2.313 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 -6.971 5.835 3.717 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 34.480 18.288 -18.579 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 -23.124 -28.839 8.912 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 -2.397 -3.414 0.548 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 8.808 -6.542 6.382 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 -5.352 9.740 3.265 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 0.858 -1.053 -2.435 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 4.687 22.165 13.764 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 -7.392 -24.948 13.625 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 8.798 -5.837 -5.089 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 19.222 -13.255 -13.625 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 -2.871 4.873 5.344 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 -1.700 -0.058 -0.284 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 2.951 18.823 -15.834 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 -3.246 -12.275 8.896 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 -3.385 0.402 1.843 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 21.345 -10.732 9.418 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 4.424 15.547 -1.820 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 -4.475 4.209 4.527 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 -0.504 11.651 10.778 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 6.797 7.287 -1.251 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 6.601 4.903 -2.085 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 1.920 -20.073 -6.814 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 1.966 -2.402 -0.589 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 0.784 3.814 0.734 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 2.824 7.078 7.050 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 -1.152 -2.646 8.135 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 0.018 -2.961 1.065 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 6.042 -26.853 6.305 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 1.754 14.181 -13.044 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 3.649 11.470 5.730 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 -1.120 7.398 -18.626 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 1.719 5.519 7.810 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 -0.451 0.902 4.622 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 18.459 -8.703 6.349 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 -2.984 17.574 11.041 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 0.601 -1.429 4.171 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 -0.519 8.773 0.873 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 10.936 -1.937 6.603 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 4.674 -3.436 -2.759 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 1.748 -4.896 -2.501 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 -0.651 -12.124 8.333 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 2.077 7.508 -1.120 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 1.883 8.357 0.977 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 1.822 13.070 -12.482 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 5.628 -0.505 -0.693 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 6.831 1.468 -19.062 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 -3.726 -20.370 2.092 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 -1.398 -5.621 -0.863 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 -21.323 -0.264 -14.519 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 17.327 -13.050 0.107 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 -2.569 -0.664 1.140 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 8.771 25.985 -6.115 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 13.670 14.408 15.709 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 -2.538 -2.636 4.701 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 6.262 20.939 23.921 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 19.519 -6.379 -7.879 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 -1.253 -4.008 -2.540 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 6.506 -1.153 15.236 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 -0.517 14.198 -11.525 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 -1.086 -6.611 -1.018 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 12.963 38.931 -39.729 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 -30.653 -1.158 20.330 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 -7.340 -3.671 1.685 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 -14.561 -7.744 13.728 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 -2.629 -1.249 -20.175 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 -2.055 4.340 -2.281 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 4.187 -3.099 -3.854 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 -3.765 5.577 -3.456 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 5.229 1.375 -2.143 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 -7.526 1.929 19.800 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 -11.058 4.364 15.002 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 -0.707 7.338 -2.793 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 -11.212 -7.647 -8.430 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 -5.525 -9.227 5.725 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 -4.507 -5.086 -2.153 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 -6.115 -6.355 -1.440 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 -6.023 -2.482 2.070 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 -3.939 -4.210 -0.470 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 4.967 30.106 -0.771 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 -14.528 -39.517 -3.920 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 -3.460 -2.443 -1.080 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 -1.192 -20.236 -6.418 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 -3.806 5.343 -5.351 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 -10.841 6.643 -1.060 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 -23.196 1.882 6.257 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 -24.991 28.034 7.463 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 -1.527 -0.051 -2.827 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 -14.931 9.783 18.160 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 -2.350 1.077 -3.695 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 5.116 3.247 2.073 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 9.158 -8.256 -11.048 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 -9.585 -6.143 5.433 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 -0.480 -4.114 -3.364 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 -14.107 8.346 -12.629 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 2.832 -24.795 0.797 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 -2.772 -2.673 -2.473 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 6.227 10.477 -4.001 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 -9.093 8.607 3.878 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 -1.841 1.277 2.374 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 -25.208 2.255 15.054 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 -6.870 -4.882 -1.547 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 0.923 -4.892 3.957 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 14.281 -24.967 -3.666 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 -8.616 22.325 3.538 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 -3.164 0.290 -0.786 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 4.614 -12.568 -2.886 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 0.297 -0.915 -9.798 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 2.379 -4.865 0.836 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 0.898 3.129 1.057 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 6.035 -2.327 -14.377 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 -0.269 3.294 3.624 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 1.393 10.805 3.592 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 -14.261 16.616 7.457 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 3.465 -7.745 -1.472 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 -12.480 -9.828 -19.861 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 1.266 -15.223 4.684 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 -0.594 -8.053 4.870 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 -12.377 -3.741 2.315 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 19.751 -5.459 -13.281 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 -4.154 -1.221 4.769 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 31.909 18.525 -1.665 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 14.795 -8.575 2.188 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 1.262 -1.685 0.880 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 -3.121 -24.826 -4.266 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 11.073 0.367 22.358 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 -2.161 -1.310 -5.039 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 0.090 -6.250 -4.553 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 1.424 1.216 -7.602 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 -0.803 -0.784 -5.346 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 6.113 12.871 3.847 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 0.645 -6.217 8.384 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 -2.656 -5.876 -4.853 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 -13.441 -16.109 -14.419 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 6.951 35.996 20.663 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 -2.124 -5.157 2.322 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 10.078 -7.826 -2.596 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 19.405 10.625 19.470 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 3.035 -0.499 9.049 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 -9.400 13.242 5.413 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 -15.475 15.947 -0.014 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 -1.684 -6.417 4.466 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 16.071 16.088 5.382 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 -17.937 -8.917 11.481 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 -0.913 7.884 -0.817 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 3.876 11.238 3.926 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 -2.475 3.488 5.432 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 8.103 -5.489 -1.626 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 5.755 -7.534 -1.897 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 7.421 -4.386 -4.272 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 -4.960 1.032 -4.358 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 -24.034 5.567 6.284 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 10.611 -6.655 1.261 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 -1.582 -2.923 -7.220 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 0.812 -9.101 4.393 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 -5.813 -5.436 -4.315 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 -4.981 1.399 -2.620 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 -12.833 -1.409 -4.916 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 -5.019 10.234 -3.273 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 0.094 -0.339 0.066 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 -14.368 -8.730 12.300 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 -5.889 23.672 2.804 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 3.963 -2.580 1.908 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 9.641 10.797 -3.989 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 -13.013 -4.376 -3.814 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 -4.114 0.777 -2.871 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 -4.242 -0.608 -1.561 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 -11.138 -1.059 2.610 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 0.426 0.861 0.304 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 -21.331 -0.712 -7.948 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 -13.621 -2.625 8.449 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 -4.791 2.236 0.395 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 -41.468 -0.218 -41.815 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 -4.541 5.332 -4.430 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 0.601 5.778 -2.729 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 -6.934 -43.571 -8.372 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 1.702 -17.840 -8.077 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 1.952 6.687 2.803 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 -13.212 9.555 -12.679 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 19.843 18.965 1.621 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 2.135 -1.166 2.120 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 9.627 10.047 -13.328 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 -1.108 -6.044 10.531 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 6.047 -5.726 3.870 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 -7.304 -13.063 4.526 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 5.195 -6.995 -1.553 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 0.627 -1.140 -0.352 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 2.968 1.176 4.067 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 6.643 -11.095 -1.216 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 -2.213 -4.602 -3.021 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 15.310 0.066 -0.325 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 1.261 5.446 0.031 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 0.363 -1.960 2.864 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 13.372 5.728 -0.776 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 -19.550 -14.566 7.914 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 3.265 -4.115 -6.029 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 33.472 -13.130 -8.859 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 1.689 -18.188 21.630 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 3.111 -6.035 4.757 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 -2.065 -1.021 -0.915 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 8.531 1.605 -7.085 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 3.846 1.411 0.808 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 0.616 -0.858 -7.763 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 -1.590 21.673 -0.149 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 0.466 -5.700 -4.079 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 4.494 -3.519 -11.251 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 -13.375 -11.840 -6.238 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 5.599 -2.189 -2.562 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 27.235 -11.357 -12.260 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 7.770 -5.679 -16.116 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 1.793 4.122 1.328 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 -4.481 16.336 0.617 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 2.919 -2.244 12.121 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 -0.345 -5.695 -1.897 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 -8.244 -1.480 -5.697 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 5.467 -9.591 1.115 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 4.476 -0.086 3.345 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 12.053 22.853 -1.333 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 14.326 -13.128 -4.095 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 0.521 -4.846 -6.531 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 27.138 0.792 -6.730 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 0.235 -4.948 -36.937 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 -2.230 -4.405 0.466 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 16.898 16.082 -32.972 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 13.636 -17.892 0.443 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 2.111 -2.035 -1.763 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 -0.164 -0.752 -5.794 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 -1.045 -3.154 0.914 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 -0.676 0.636 -3.149 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 -6.889 19.113 14.143 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 -7.703 22.963 17.875 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 3.564 -2.246 -4.602 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 -1.022 -0.396 -3.923 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 -9.958 20.790 11.076 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 -2.771 -1.591 -7.698 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 1.680 7.751 -21.435 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 -3.316 -4.056 -5.934 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 -0.925 -4.330 -2.681 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 2.397 -3.958 -2.794 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 -3.746 1.290 0.462 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 -1.888 -5.436 2.383 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 -9.548 -10.148 13.313 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 4.006 -0.686 -4.980 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 1.760 3.812 1.148 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 8.303 -3.046 -4.834 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 -5.958 27.222 19.523 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 0.031 -0.760 2.620 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 1.122 -7.176 1.669 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 4.970 34.167 -7.468 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 4.095 0.709 5.474 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 3.650 -2.418 -4.059 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 4.895 3.039 -13.320 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 -1.351 -3.894 0.176 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 7.583 -12.777 4.107 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 -2.299 -2.011 6.014 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 3.555 -2.059 0.326 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 -0.440 5.548 18.835 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 11.710 -6.521 -5.955 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 -1.906 -0.952 -2.434 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 -20.893 -5.093 -1.785 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 20.327 1.608 -4.825 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 -6.856 2.936 -0.491 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 3.849 -13.990 -19.007 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 -10.719 4.643 16.321 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 -2.269 -5.751 -1.139 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 2.263 -6.092 1.109 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 2.726 -7.400 -4.281 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 -2.256 0.258 -1.367 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 -9.520 -16.811 -26.287 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 6.959 -11.331 15.504 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 2.081 0.617 -2.653 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 6.779 16.020 -4.390 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 5.968 -12.278 10.942 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 -0.531 2.722 5.997 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 -13.066 24.638 -4.715 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 13.872 -2.579 26.842 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 -0.715 1.980 -2.131 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 -27.109 -20.665 5.083 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 20.176 4.194 11.935 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 0.767 7.198 3.170 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 13.966 9.582 -0.952 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 1.649 -6.903 14.785 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 -6.388 8.370 0.631 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 -20.676 -19.014 -12.791 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 12.665 -9.788 -26.142 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 -1.623 -10.310 -0.535 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 -8.641 -7.045 21.401 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 0.254 -9.329 -11.472 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 0.394 -6.924 -2.593 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 12.773 5.424 -13.039 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 -6.344 -13.002 4.027 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 -4.783 2.526 -5.554 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 -2.788 4.863 3.907 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 4.906 8.168 14.663 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 10.159 7.521 2.277 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 12.410 21.880 9.861 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 -4.693 -0.238 5.494 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 -2.415 0.864 6.308 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 -9.859 -14.618 -6.594 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 4.624 3.080 2.607 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 3.181 -1.261 0.228 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 -4.226 1.811 7.136 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 -9.371 -16.501 17.306 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 -2.196 -0.745 -3.051 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 -5.476 8.382 17.973 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 21.984 -12.841 -18.715 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 1.416 -6.093 4.566 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 -10.656 -20.836 -16.661 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 -5.633 -15.421 3.531 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 -6.992 -0.552 -2.890 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 1.157 -10.716 -1.721 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 -20.315 12.998 -1.003 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 12.432 4.423 2.245 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 18.588 8.259 -10.025 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 13.208 5.210 -4.675 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 2.831 -1.483 3.962 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 21.426 1.131 -12.730 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 -1.085 -3.350 1.490 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 1.664 5.958 8.666 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 15.775 1.331 7.057 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 3.866 7.187 18.699 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 -2.058 -0.209 4.835 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 -10.472 10.384 -17.864 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 28.466 2.837 15.792 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 -4.179 -3.516 -1.742 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 -14.478 0.295 -7.621 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 -5.899 -12.101 16.861 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 5.376 -0.521 -3.096 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 11.676 14.312 9.484 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 -18.209 -9.803 10.089 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 3.616 1.055 0.095 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 -11.728 14.282 -7.980 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 -2.026 -19.388 -6.153 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 -2.774 3.770 1.587 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 -13.846 9.228 -12.085 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 9.780 -1.861 21.161 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 -0.565 1.792 -2.259 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 -0.542 2.654 -4.047 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 -2.011 -7.094 -0.110 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 3.250 2.020 -8.587 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 -7.974 -19.942 -14.062 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 -19.528 5.386 4.010 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 -5.579 -9.844 -3.195 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 0.043 -9.576 -1.713 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 -33.852 -5.146 7.869 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 -1.984 1.254 1.712 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 -2.570 -18.687 -5.791 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 -10.634 9.856 -10.072 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 1.367 1.345 -5.840 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 -51.309 20.428 2.424 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 1.293 12.649 5.167 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 1.457 -6.876 0.832 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 -0.743 -11.796 3.340 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 12.832 5.171 7.330 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 7.688 -0.372 4.255 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 2.742 -11.241 4.256 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 17.989 7.387 0.371 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 0.629 -5.072 0.358 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 8.614 -18.250 4.207 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 -11.436 17.644 -1.182 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 3.264 0.863 -4.181 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 -1.373 -3.257 -4.348 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 -18.289 7.709 -17.520 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 -2.682 -0.323 -0.345 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 7.517 0.994 8.227 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 -3.945 10.986 -6.148 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 -1.968 5.299 -8.072 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 -3.914 8.378 39.351 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 -53.040 -1.792 -15.555 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 -0.915 7.350 -3.496 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 29.748 16.544 12.685 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 14.721 -14.378 -0.559 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 6.899 2.565 -5.538 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 12.745 10.124 12.066 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 6.452 -18.459 -11.953 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 1.499 2.811 -0.410 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 9.432 -2.457 2.196 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 -0.845 -15.411 -4.567 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 -12.519 -6.289 5.805 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 -16.527 1.036 4.258 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 20.120 2.143 0.233 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 3.944 1.319 -1.211 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 1.828 -2.163 -13.662 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 4.289 -20.308 -13.950 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 5.045 -1.648 5.796 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 -9.003 -2.759 2.255 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 2.196 37.742 -14.693 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 0.735 1.974 -4.958 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 2.694 -8.272 -6.158 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 8.644 13.397 -10.847 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 1.798 5.029 -2.582 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 10.901 4.230 1.187 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 0.790 15.021 4.843 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 -1.354 -0.785 4.033 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 18.240 2.341 -0.904 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 0.995 -7.743 3.708 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 2.119 -0.691 -5.370 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 -0.909 4.618 -25.388 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 6.048 1.768 17.165 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 -5.516 -2.053 0.796 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 -10.463 -5.617 -17.166 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 -1.419 2.452 20.965 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 6.432 0.109 -3.175 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 7.249 11.310 -34.402 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 5.057 11.871 -21.927 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 -1.723 -0.136 -3.199 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 7.676 -10.860 -7.240 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 3.555 5.835 -25.058 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 -3.349 -3.736 -1.855 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 6.219 -1.038 7.834 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 -7.157 5.215 -14.545 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 3.179 -1.387 6.327 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 -1.120 -12.844 6.109 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 -13.097 0.928 3.703 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 1.896 1.118 -2.958 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 -0.248 9.366 -13.831 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 11.771 -2.332 19.160 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 -1.113 2.044 2.451 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 7.724 -9.285 5.841 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 -3.652 6.067 0.343 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 2.992 -0.105 3.006 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 0.232 -1.022 5.120 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 -8.078 -3.180 6.982 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 2.849 0.126 -5.423 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 11.798 20.030 3.848 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 2.125 8.957 -4.282 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 4.248 -6.276 0.113 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 8.749 -18.679 5.903 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 -3.754 12.891 -7.273 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 3.198 1.193 8.427 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 12.304 -5.879 -6.914 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 3.408 0.779 4.243 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 -2.902 -2.454 1.913 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 -6.561 -8.593 -9.641 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 1.730 5.366 4.673 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 5.666 -4.995 -1.348 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 33.039 -4.491 -6.086 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 -13.412 -6.393 -0.331 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 -3.003 4.504 2.983 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 2.999 -10.186 5.536 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 -4.579 2.186 11.995 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 3.271 1.477 10.195 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 17.731 7.733 12.026 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 -3.374 14.548 17.462 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 3.534 9.750 -6.187 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 14.492 22.221 -10.449 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 11.703 17.285 -7.799 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 2.103 0.248 2.444 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 -15.587 16.663 4.508 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 2.665 -3.356 3.105 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 1.466 -4.690 5.649 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 20.167 -0.436 7.561 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 0.366 -5.681 3.130 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 8.955 0.351 1.946 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 -7.208 4.138 6.707 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 28.718 -5.322 -5.368 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 -1.422 -9.493 5.241 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 2.627 -15.165 2.393 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 5.026 26.427 9.878 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 4.126 -3.322 1.149 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 10.903 24.793 2.327 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 29.854 -16.905 -3.724 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 0.265 2.846 -5.819 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 4.393 -17.513 -11.765 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 10.067 10.389 -4.895 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 0.441 6.649 3.869 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 -5.921 1.004 -9.617 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 13.928 -8.086 10.953 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 0.065 -0.474 2.111 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 2.621 -2.253 -2.314 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 -5.333 -2.220 2.040 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 2.450 -1.307 -3.589 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 -1.612 7.074 -4.621 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 -8.349 -13.322 -5.819 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 2.349 11.318 0.509 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 3.920 9.681 3.362 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 1.162 -5.915 1.512 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 3.416 1.427 -0.227 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 1.858 -0.446 -9.318 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 4.297 8.537 15.920 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 -3.110 8.310 -0.141 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 -30.181 -5.251 -16.814 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 -0.339 16.636 13.813 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 6.569 3.101 2.898 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 3.721 4.357 -1.182 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 14.246 7.847 2.614 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 -7.691 -0.979 4.635 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 10.841 -17.192 2.626 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 -13.674 -35.995 -6.556 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 4.364 -1.317 -1.249 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 -7.095 13.589 -5.358 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 15.044 -3.596 21.242 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 -1.732 0.496 -0.675 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 -1.647 -7.611 -6.016 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 1.403 7.004 -8.369 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 -2.648 9.662 -1.916 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 7.354 0.647 14.024 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 1.631 5.738 9.070 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 -7.707 4.685 -2.417 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 -3.221 11.239 -5.257 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 20.040 -2.107 39.060 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 -8.334 -4.778 -0.129 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 -10.140 -5.365 5.098 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 -12.488 -6.432 8.950 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 -2.516 3.606 3.788 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 -3.358 22.439 -23.010 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 -8.092 12.881 3.294 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 -1.207 1.931 -1.441 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 -2.965 -3.045 -2.201 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 10.923 -7.073 -4.962 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 1.661 0.485 2.246 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 -3.787 4.431 6.372 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 -0.157 9.519 10.964 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 1.392 5.120 2.378 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 1.936 -2.059 -9.320 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 -14.017 2.097 -7.534 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 8.034 5.292 1.766 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 9.838 5.332 -2.395 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 8.421 4.357 0.033 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 -1.661 -5.029 -1.441 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 3.489 25.204 16.664 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 14.563 -26.342 2.930 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 -3.481 7.414 4.129 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 1.400 -14.422 8.845 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 0.737 -11.156 8.119 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 3.169 4.091 -6.098 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 1.171 1.214 -6.627 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 -6.606 1.231 -21.640 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 2.287 4.587 -1.158 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 0.469 14.776 -2.813 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 0.066 0.189 -0.053 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 -2.582 -2.567 -0.832 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 13.945 14.627 11.655 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 -9.896 -24.982 14.137 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 0.071 -5.762 4.492 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 1.638 5.030 2.498 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 2.005 3.728 3.586 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 -2.188 -5.579 11.047 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 16.646 10.993 12.743 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 -1.119 14.321 9.307 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 0.086 5.650 0.717 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 -26.466 -20.199 7.826 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 33.700 -40.672 16.828 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 -3.934 1.355 -2.411 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 2.474 -12.006 -14.724 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 -26.127 8.458 -11.509 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 -3.603 0.858 -0.489 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 -2.517 -40.017 -0.745 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 -16.041 9.480 -0.058 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 3.368 -3.228 1.933 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 -22.335 -20.103 3.367 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 16.982 7.663 6.514 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 1.322 -5.161 -0.604 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 35.750 8.130 29.440 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 -1.890 7.357 12.230 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 2.177 2.129 -2.180 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 8.027 -0.204 -1.444 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 26.887 -12.249 7.472 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 -2.373 0.177 7.706 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 -17.936 2.141 1.584 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 4.121 -12.174 22.643 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 -2.352 -2.610 11.700 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 -2.277 -4.504 0.294 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 -11.353 11.607 4.402 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 -2.606 3.958 1.729 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 -16.977 -16.053 13.915 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 4.259 21.343 -6.258 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 -5.869 -0.891 -0.014 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 -11.233 -7.820 -13.510 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 -15.138 -14.400 -6.206 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 -0.936 1.246 3.613 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 -2.597 7.290 12.922 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 8.808 2.720 1.806 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 2.840 -2.300 -0.110 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 2.071 5.433 -4.715 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 -6.847 15.062 -16.262 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 8.969 -4.309 1.069 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 8.792 1.115 -26.073 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 9.926 -3.820 10.950 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 -1.164 -5.943 -4.013 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 -0.161 -9.375 1.449 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 3.566 -5.787 0.278 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 -4.943 -1.509 1.227 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 -14.516 -10.542 4.100 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 12.858 14.250 -11.853 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 -3.494 -5.016 5.744 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 -9.896 11.585 1.599 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 0.560 -16.023 -8.365 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 -3.236 2.195 0.065 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 22.708 19.250 -26.165 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 5.310 -5.352 15.414 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 7.282 5.761 -0.246 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 17.732 -9.144 -11.245 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 7.523 5.019 2.486 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 1.014 -3.548 6.915 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 1.626 -4.177 8.135 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 -1.555 -0.858 -3.936 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 -2.720 -1.450 -2.712 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 -13.703 17.144 -6.619 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 6.163 -4.465 3.994 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 2.367 0.331 -7.009 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 -11.695 -14.872 6.552 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 7.044 2.550 4.533 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 0.987 6.039 -4.266 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 3.473 -2.451 -16.553 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 2.022 -5.645 23.572 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 3.679 5.191 7.518 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 4.224 2.611 -0.293 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 7.905 5.201 7.246 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 1.300 -1.162 6.452 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 -26.248 -5.742 -4.514 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 -15.885 -9.475 -15.138 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 -2.927 3.549 4.140 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 -4.945 1.434 -2.178 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 -2.360 6.700 0.621 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 0.122 -5.781 0.179 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 -3.594 -17.680 4.518 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 -10.808 10.620 7.154 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 -0.155 -1.133 3.196 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 -26.522 -12.124 -2.685 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 -14.518 -6.638 7.453 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 2.812 -1.729 -4.131 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 -1.584 -19.756 -14.644 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 -12.065 -14.847 5.117 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 -1.671 -0.995 -7.561 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 -23.582 1.892 -0.241 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 -7.398 -1.113 -6.665 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 -5.256 0.753 5.597 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 9.468 -0.177 -4.411 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 -5.312 -1.952 17.907 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 -2.105 2.066 3.122 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 -3.906 -0.982 6.293 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 -11.953 39.351 3.726 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 2.959 -2.082 -2.856 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 -0.917 -7.887 -1.731 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 5.570 6.226 -7.686 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 -3.940 -8.583 0.540 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 7.947 8.558 -24.652 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 6.424 -6.280 -9.545 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 6.176 -0.633 -4.652 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 6.955 -0.903 -3.895 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 -2.639 7.599 0.700 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 -3.047 -0.216 7.274 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 -11.555 6.134 10.677 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 -8.954 6.152 14.109 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 2.907 -0.798 -1.167 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 -5.644 14.208 14.355 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 2.800 21.204 -7.539 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 3.529 7.844 0.117 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 0.057 24.318 -0.783 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 1.476 19.304 4.798 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 -4.787 -6.079 -1.273 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 -3.380 -2.718 -7.655 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 -7.578 -10.992 8.281 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 7.985 -5.232 0.130 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 -13.669 -3.901 9.497 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 13.796 -17.262 10.566 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 3.295 0.697 -2.817 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 40.558 -20.171 -6.734 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 -8.111 9.895 12.428 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 7.973 -0.804 -3.396 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 5.790 -9.678 -11.818 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 11.343 -2.641 -0.424 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 -3.128 0.096 4.353 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 0.168 -3.254 -9.255 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 -3.244 -1.302 -0.305 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 5.977 2.999 -1.876 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 -7.932 -7.476 -5.062 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 23.718 7.189 -19.767 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 -1.510 0.216 -1.543 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 -6.057 4.514 -4.827 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 -9.913 12.979 -4.103 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 -5.770 1.859 -0.114 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 -5.177 7.068 -0.191 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 -5.635 12.699 -2.971 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 -5.175 -2.528 -6.509 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 8.171 -0.187 -17.682 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 -15.887 2.774 -18.438 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 -4.111 -4.670 1.575 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 17.206 -17.368 3.753 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 20.436 17.689 -10.549 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 -4.367 2.251 -2.689 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 11.529 -3.205 -16.874 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 1.587 6.085 11.208 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 -4.524 4.663 2.696 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 19.894 31.390 -16.684 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 -1.328 -8.726 6.766 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 7.341 3.530 3.272 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 8.242 14.618 -1.491 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 8.524 11.126 24.921 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 0.891 -4.894 -5.857 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 -24.674 -12.574 14.928 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 -26.338 -5.372 -0.885 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 -2.364 -9.517 -3.898 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 0.100 4.932 4.440 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 -6.671 -9.824 -7.748 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 -2.035 -1.820 -4.005 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 -4.044 -10.882 13.192 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 -11.829 9.033 24.090 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 3.710 0.705 1.439 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 -14.111 -2.651 -7.865 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 -17.426 -19.526 18.177 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 -2.512 -1.402 1.273 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 -8.039 3.308 0.787 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 -11.100 3.940 -0.999 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 3.901 1.614 -2.878 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 -0.261 4.746 7.315 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 19.888 -10.283 -15.784 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 6.382 4.751 2.768 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 20.371 -8.002 -22.638 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 -14.813 6.385 -13.722 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 11.640 2.211 -0.121 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 13.302 0.842 1.706 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 -3.731 4.543 -1.242 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 6.168 -3.767 0.407 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 8.005 12.330 32.318 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 11.585 -0.031 4.805 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 5.777 -6.229 5.041 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 -0.319 -1.356 8.951 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 3.933 -4.589 6.460 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 -0.341 -4.856 -0.155 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 -0.431 -8.251 -0.354 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 6.977 2.643 9.847 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 1.999 1.734 -0.093 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 4.567 -1.364 -7.418 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 -2.407 -5.901 7.706 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 -1.695 4.053 1.470 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 -16.476 4.943 6.253 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 13.007 3.074 -3.895 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 4.322 -3.087 -5.312 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 6.573 13.557 -19.581 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 -3.207 -20.165 13.764 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 -4.659 0.313 -1.430 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 -8.916 1.423 15.740 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 -6.803 -13.470 5.134 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 4.256 0.600 0.337 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 8.527 -10.936 -1.631 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 10.568 -10.972 -2.348 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 4.936 -3.542 7.466 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 -5.146 -7.657 -6.889 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 25.314 3.068 18.446 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 2.087 -2.664 -2.517 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 -4.496 12.630 -10.962 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 -15.249 12.768 -8.914 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 5.426 4.762 5.609 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 -6.724 -5.280 -26.044 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 -20.847 -1.582 31.967 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 1.342 -1.999 -3.035 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 -25.872 20.973 -10.475 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 -10.663 -19.535 24.063 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 -1.960 5.602 -2.412 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 0.313 -15.291 -15.211 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 0.932 12.924 13.053 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 -3.800 5.230 -0.641 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 -9.420 4.933 14.389 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 -0.303 5.066 -9.440 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 -0.076 0.787 -5.299 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 -7.362 -4.259 -19.637 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 -17.159 20.799 -1.454 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 11.298 4.525 0.267 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 -3.154 1.039 -4.033 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 2.574 0.826 -3.180 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 -1.539 -3.608 0.286 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 15.236 -22.115 -3.824 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 4.910 -21.255 -2.015 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 -0.867 -6.321 -1.002 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 -5.670 -7.084 -4.082 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 4.934 -4.725 -3.278 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 2.861 1.935 0.160 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 11.086 4.643 -2.344 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 4.830 -0.654 -4.520 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 5.980 2.503 -0.128 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 -1.315 -9.137 -0.602 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 -9.964 1.464 -11.600 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 -7.499 6.117 -1.001 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 -21.670 24.012 -6.070 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 -12.634 -7.853 4.521 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 8.220 1.462 -8.914 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 -1.629 -3.079 6.730 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 13.646 6.175 -14.838 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 -2.782 3.387 -5.103 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 -3.420 3.944 -7.655 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 2.721 0.481 10.879 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 7.227 -1.541 -1.938 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 -4.982 2.160 2.210 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 12.313 -3.524 19.026 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 0.821 1.674 9.360 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 -31.938 -7.158 1.190 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 8.743 7.135 8.983 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 1.085 -4.098 3.032 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 -9.314 -9.989 0.830 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 -37.085 -9.767 -21.918 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 2.775 4.426 -0.210 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 16.675 7.214 22.038 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 27.857 -5.369 -0.043 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 1.617 2.420 5.451 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 7.059 2.178 1.413 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 5.277 -3.177 31.149 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 -1.795 -4.486 3.838 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 15.458 -12.088 -0.435 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 -7.988 -11.717 23.133 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 -0.439 2.511 -0.401 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 -9.762 -4.637 19.313 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 4.911 -25.212 -21.007 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 -3.093 3.874 7.238 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 18.144 4.034 -10.339 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 -17.487 -12.420 21.122 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 1.230 1.539 -2.491 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 7.172 13.303 6.610 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 -5.848 5.473 -13.857 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 -4.664 0.269 4.299 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 -9.534 -1.419 -13.062 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 -10.453 2.156 -14.381 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 1.771 -2.029 -5.271 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 -3.325 0.778 -10.717 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 4.470 -7.041 -4.826 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 3.429 -0.383 1.557 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 -9.344 -25.320 14.227 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 2.447 -3.564 4.122 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 3.337 -8.441 5.944 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 -0.278 -5.224 9.399 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 0.064 2.231 4.102 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 2.979 -2.924 4.853 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 -13.843 3.608 6.904 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 6.381 -17.742 10.498 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 8.148 0.369 -3.332 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 4.380 -9.765 -9.272 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 10.833 2.158 -3.437 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 -0.517 3.763 2.167 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 -6.429 8.821 19.885 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 4.071 -9.163 -2.594 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 0.823 2.797 0.682 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 -8.784 17.277 -7.796 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 5.844 -1.091 -12.950 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 -1.613 -1.266 -6.934 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 18.891 34.077 1.033 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 10.329 22.965 0.692 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 0.313 3.994 9.121 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 6.983 -2.481 -3.878 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 -14.257 -5.137 8.004 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 3.160 1.613 -1.083 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 39.744 -10.666 -22.777 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 -21.949 26.420 12.951 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 0.414 5.707 -3.413 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 3.375 1.653 -1.345 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 -11.249 -3.605 34.432 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 -0.497 -7.425 1.022 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 -4.441 0.251 4.067 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 -4.007 -10.135 4.703 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 1.376 9.539 5.682 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 17.896 2.480 12.910 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 3.468 17.284 17.616 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 4.568 -2.937 2.053 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 -23.700 23.374 14.389 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 26.559 -10.085 -5.771 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 1.496 -4.315 -2.910 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 -13.512 -16.562 -25.981 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 1.847 -1.480 -0.781 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 2.275 11.864 7.988 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 7.590 19.702 10.380 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 -11.658 -18.863 9.606 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 -4.269 5.152 -1.160 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 -7.652 4.061 2.275 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 4.092 -12.867 -14.592 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 -4.580 -7.113 1.816 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 2.820 -22.747 2.630 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 -5.706 1.088 2.714 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 -2.068 3.602 3.810 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 -21.190 1.468 -2.534 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 -10.466 3.168 2.235 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 0.495 2.093 -2.969 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 2.722 -9.172 -14.317 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 1.469 -1.332 -7.285 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 -1.864 -1.053 -1.778 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 -4.293 -25.170 9.074 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 -6.245 -5.814 -27.004 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 -4.220 -3.807 1.513 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 1.841 -9.184 3.931 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 -16.425 7.026 6.363 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 -3.688 -0.960 3.156 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 -3.766 -11.933 -13.886 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 -18.134 -5.838 14.507 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 -2.330 1.516 -7.427 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 -7.855 2.567 10.208 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 -3.586 -37.651 -28.082 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 -1.828 4.143 -1.558 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 -15.456 -2.185 -8.136 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 -2.408 4.069 -1.636 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 2.856 1.822 -0.921 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 -16.004 -1.297 -22.099 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 20.943 -11.527 4.107 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 -1.610 -3.484 -4.662 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 16.623 -4.384 -13.195 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 6.064 33.329 7.017 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 4.782 -10.056 -3.744 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 -10.132 -6.752 -7.891 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 -9.799 14.216 -5.369 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 2.764 1.025 -6.270 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 7.902 -9.132 -14.719 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 2.314 -5.331 7.007 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 7.390 -9.585 5.471 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 1.904 -5.264 8.220 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 9.662 -20.786 -0.845 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 -3.962 -7.024 -1.543 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 5.023 0.624 7.538 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 -5.076 -10.775 -11.635 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 -1.634 -0.530 -1.961 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 3.575 18.253 6.274 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 10.036 2.159 -21.587 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 -2.569 2.894 -4.936 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 -11.921 -6.065 0.605 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 6.171 -5.041 4.123 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 -2.929 2.693 1.670 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 -6.828 15.540 -14.786 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 2.162 -6.411 14.987 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 7.166 2.570 -0.184 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 5.024 4.318 11.227 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 6.066 -5.610 -11.285 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 -4.695 2.414 -1.762 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 2.802 0.987 -13.143 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 -9.804 -1.768 -1.239 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 -3.937 2.519 -6.533 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 13.342 8.400 4.302 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 -4.597 -13.809 8.405 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 -6.447 4.638 1.388 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 -4.555 8.536 0.558 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 12.475 1.950 -17.361 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 -2.777 -0.022 5.761 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 -9.939 8.114 -5.314 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 0.051 -15.259 -15.824 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 10.521 -5.821 -6.793 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 14.674 -8.785 -8.285 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 5.673 -3.383 -6.003 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 3.624 -2.340 -3.048 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 1.041 -1.178 -1.468 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 2.515 -2.654 -0.703 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 4.432 5.723 0.140 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 5.896 -2.356 3.700 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 7.469 -9.792 7.202 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 2.000 -5.795 -5.835 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 1.274 11.583 -13.610 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 8.687 -10.780 -4.179 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 -3.569 6.889 -2.094 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 8.398 5.474 17.739 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 16.273 -1.372 7.466 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 5.809 -2.733 0.695 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 -27.762 2.384 -5.552 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 -24.015 0.563 4.224 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 -4.968 -4.159 -8.175 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 1.525 -1.756 -11.994 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 -0.030 -7.519 -11.196 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 5.821 0.342 3.113 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 4.406 21.805 1.956 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 2.078 -1.104 2.084 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 2.101 -3.775 -2.917 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 1.189 -4.664 -9.405 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 -2.853 -16.410 -3.709 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 -0.492 6.939 5.973 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 -5.962 10.357 12.294 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 6.692 -0.501 -2.176 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 2.398 -6.118 -4.360 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 -22.434 -2.771 24.839 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 11.400 13.455 -3.161 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 -14.558 2.087 0.696 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 6.880 -3.278 4.707 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 9.956 -5.444 4.677 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 0.812 0.688 2.362 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 4.580 -2.716 0.910 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 13.242 6.633 11.595 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 1.658 -4.597 0.009 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 4.407 -0.019 17.113 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 -7.187 -4.969 -15.933 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 -3.224 2.003 -3.977 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 20.288 14.574 18.587 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 5.316 15.133 10.174 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 1.870 -2.516 -2.303 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 -14.214 8.449 -4.976 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 10.948 -15.030 -1.432 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 -3.502 15.168 -5.338 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 -4.750 16.039 -6.385 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 -1.725 20.620 -11.733 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 -3.420 7.448 8.417 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 -6.414 11.095 -8.841 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 -0.457 10.957 22.552 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 -2.123 4.842 -5.272 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 6.442 -10.966 6.182 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 5.213 -5.128 0.239 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 3.870 -2.925 0.886 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 -17.916 5.571 -0.033 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 4.111 -15.947 24.407 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 5.806 6.245 -6.731 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 -20.518 -11.136 7.383 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 7.657 5.748 -3.587 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 -6.651 -1.737 -7.844 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 -9.542 -5.136 -5.517 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 -15.164 24.931 -32.994 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 4.792 1.042 -1.945 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 16.195 4.308 27.457 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 -17.988 0.549 12.995 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 -5.770 -4.044 -4.050 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 18.530 -10.823 2.799 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 -18.916 20.561 -8.738 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 4.394 -2.753 4.907 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 1.611 5.323 -5.533 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 -2.809 21.471 -28.346 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 -3.575 4.450 -2.040 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 -2.766 -7.306 5.737 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 5.518 7.973 -8.866 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 6.472 3.397 3.101 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 7.760 14.945 10.998 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 7.607 -17.531 -12.498 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 -4.720 7.019 4.139 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 7.281 11.928 -2.079 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 6.686 -23.945 2.285 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 1.208 -1.560 1.554 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 2.666 4.862 0.994 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 -15.986 9.338 16.090 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 1.300 0.025 2.562 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 -1.399 -5.276 -2.066 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 -0.624 -4.657 9.858 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 1.205 3.815 -4.855 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 -7.061 9.625 -2.524 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 10.633 -3.545 -7.322 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 -6.979 -1.455 -6.568 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 -21.164 7.760 -7.774 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 0.077 2.605 7.316 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 -0.168 2.290 -2.140 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 -3.169 2.531 1.948 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 2.772 -11.242 5.151 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 -5.350 1.781 -6.761 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 0.574 -0.855 0.421 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 28.777 -0.256 17.572 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 3.833 -4.979 -0.797 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 8.893 -8.458 6.138 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 19.940 -6.497 -0.183 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 3.919 2.179 -2.471 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 7.004 9.441 -4.322 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 -11.024 -5.159 -0.109 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 -0.380 1.430 -4.491 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 -11.817 -7.037 -12.683 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 -10.733 -6.353 -11.417 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 -0.169 3.563 0.088 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 -15.615 -27.996 -22.187 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 -5.080 20.692 3.979 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 3.840 1.951 -12.654 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 -11.129 12.872 -2.250 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 -27.969 -17.250 -17.661 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 1.623 5.975 -2.921 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 -1.802 5.675 8.780 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 11.683 -9.405 3.279 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 4.740 -2.055 9.432 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 11.322 -12.876 12.769 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 12.978 -11.205 13.263 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 -0.339 0.304 -0.790 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 -16.789 9.150 0.540 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 -4.964 3.413 1.221 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 -0.462 -0.396 5.244 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 2.092 -16.768 -7.224 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 9.322 15.036 34.552 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 2.702 -5.570 5.230 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 1.844 -7.347 3.184 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 15.982 10.241 0.167 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 3.217 -2.409 1.768 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 6.875 -7.022 -27.099 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 29.865 7.418 6.232 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 -1.134 0.507 -10.399 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 -15.068 8.576 4.698 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 -12.947 20.598 -6.669 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 -7.778 2.943 2.557 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 5.258 -2.793 -2.235 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 14.734 -3.103 14.031 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 -0.781 -3.021 -5.137 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 25.971 7.840 6.213 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 15.220 5.447 -2.221 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 -3.400 0.728 6.015 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 -3.345 6.282 10.805 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 10.061 -2.139 26.663 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 -4.652 3.131 -2.037 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 -20.999 -7.122 -5.222 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 -0.762 -2.774 10.333 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 1.173 0.418 -4.054 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 4.700 0.028 -1.465 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 -3.198 -4.178 -2.420 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 -1.777 4.785 -7.075 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 17.895 -8.793 -6.836 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 -13.062 20.032 10.345 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 3.378 -1.644 0.050 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 1.753 -3.848 -5.955 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 -0.185 -1.501 2.133 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 2.163 5.082 4.476 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 23.191 -23.440 -3.441 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 -5.917 19.989 8.593 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 4.818 1.824 0.848 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 10.082 6.868 -0.659 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 12.384 -0.600 0.716 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 -4.041 3.293 1.875 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 6.148 -7.186 -0.859 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 -20.552 -13.443 5.815 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 3.089 2.238 8.495 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 2.854 20.230 19.994 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 14.969 -10.454 3.005 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 4.678 2.455 -3.857 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 26.166 -6.929 4.190 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 6.618 7.036 -6.573 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 -3.303 -1.573 -5.629 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 0.280 -7.615 -14.571 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 -15.821 -0.925 -6.771 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 -2.038 -8.800 -3.806 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 -1.082 -27.976 -11.246 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 -10.573 10.276 -8.136 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 -2.949 2.661 -1.038 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 22.861 -11.761 22.441 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 3.281 6.814 -11.666 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 -7.721 -8.500 0.138 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 -8.034 10.322 -4.143 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 -16.477 1.603 1.112 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 1.222 4.069 4.808 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 -0.929 -9.384 13.338 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 -8.931 -0.907 -11.922 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 0.416 -2.343 -0.410 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 23.841 0.962 -2.423 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 -16.372 28.888 15.758 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 -1.630 -2.041 -4.902 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 3.063 7.410 -10.342 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 -6.050 -3.493 -18.459 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 -3.746 -3.435 1.617 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 -1.304 22.961 -4.720 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 -30.251 -7.450 4.416 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 7.443 -3.564 8.511 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 4.324 -5.880 8.361 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 28.227 -11.768 8.397 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 1.342 -0.956 0.102 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 -3.669 1.429 -12.487 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 0.191 -34.093 8.948 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 1.617 8.826 -5.859 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 -7.272 9.075 4.185 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 1.309 1.353 -13.957 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 -7.502 0.507 -4.971 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 22.781 -2.960 22.036 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 -9.049 0.317 -5.383 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 -1.965 3.071 0.940 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 -9.559 4.929 0.099 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 10.872 6.330 1.528 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 2.674 -1.911 -0.193 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 -0.378 3.980 -7.487 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 -23.578 -6.836 25.519 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 -10.766 2.875 -1.053 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 13.991 4.287 25.078 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 -19.869 2.024 -11.942 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 -0.148 3.197 0.018 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 4.535 -2.901 16.152 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 1.598 -9.270 3.985 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 3.519 -2.651 4.533 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 6.273 -2.303 -6.798 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 1.178 20.164 8.944 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 -3.025 -4.074 6.909 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 4.581 -43.925 7.862 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 -20.086 -11.730 5.095 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 2.460 -0.843 5.347 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 -3.169 1.265 0.050 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 2.923 -1.529 8.368 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 5.530 -1.973 4.034 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 5.602 14.528 -8.714 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 -2.281 26.533 -5.136 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 3.821 3.885 2.656 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 -3.679 -3.374 -3.877 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 1.157 -14.488 -3.704 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 -1.894 -5.030 -2.684 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 -1.569 5.718 4.938 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 2.505 1.193 -1.614 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 -0.130 -1.192 4.750 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 -10.452 -7.046 9.964 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 -6.130 10.197 0.831 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 5.099 6.551 -1.572 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 18.139 5.463 -13.169 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 13.164 -1.086 8.867 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 -1.849 -0.956 -1.751 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 7.595 -8.504 -11.553 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 -0.739 9.349 -4.598 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 1.261 0.726 -3.181 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 20.497 2.590 -10.716 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 7.971 -4.258 19.010 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 0.347 -4.363 2.268 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 0.129 -12.207 9.468 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 0.276 -2.141 -2.606 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 3.924 3.996 -3.327 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 3.641 -2.682 -11.488 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 3.732 1.014 -7.304 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 4.500 4.949 2.469 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 0.726 -15.373 14.866 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 15.636 -2.325 -1.333 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 2.551 2.650 -7.905 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 -8.461 7.166 -6.478 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 7.185 -2.036 -11.403 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 -0.849 1.251 3.812 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 -1.612 1.654 5.414 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 17.329 -13.895 -22.596 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 3.349 -2.822 0.854 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 9.927 -18.001 1.562 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 -8.120 -2.735 12.617 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 -1.154 0.026 -3.178 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 -11.319 21.169 18.662 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 11.215 -17.825 4.511 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 -3.759 5.126 -1.751 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 -4.376 20.626 -3.252 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 -21.191 -11.825 -10.249 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 3.424 -1.708 -1.892 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 -10.629 -18.993 33.455 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 5.445 -12.033 19.971 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 -0.665 -0.307 4.846 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 17.294 -12.395 9.551 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 6.330 5.169 -21.369 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 -6.751 -6.097 1.995 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 6.876 -7.309 34.603 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 -8.314 -7.955 9.831 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 0.672 5.923 -6.207 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 5.306 -7.826 -13.801 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 3.986 5.481 4.974 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 3.317 -1.752 5.991 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 1.690 -6.223 9.492 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 -2.302 -7.294 3.794 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 -1.264 1.245 -5.115 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 -11.895 17.463 16.771 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 15.605 -17.386 -28.704 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 -2.289 -1.962 -1.795 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 -12.647 -20.059 4.346 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 -19.644 1.093 -13.985 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 0.040 7.751 -1.718 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 -3.161 4.299 4.143 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 3.258 11.219 -8.790 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 -1.868 3.599 9.117 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 -2.318 -2.558 9.708 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 -2.281 1.166 8.183 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 4.398 9.601 3.921 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 13.752 -9.805 15.387 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 0.423 6.302 -1.760 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 0.790 -0.962 1.217 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 -1.925 -3.902 -6.520 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 0.517 1.698 -8.930 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 2.788 -0.502 2.684 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 -1.978 5.226 4.584 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 -2.041 -9.825 -5.813 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 0.374 1.975 4.500 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 -19.961 -7.039 16.746 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 10.588 3.813 2.356 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 4.339 -6.799 2.643 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 -14.113 -10.009 15.240 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 -20.730 -8.996 2.361 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 -0.357 -1.948 -0.662 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 -2.663 -12.158 -15.127 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 3.253 -4.326 5.003 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 -1.335 -1.739 -6.910 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 12.479 4.728 -25.212 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 -14.491 1.877 -9.392 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 0.950 0.000 -0.788 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 11.785 11.728 -7.068 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 -1.797 -19.714 8.430 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 4.133 3.909 -1.686 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 -25.366 16.716 -1.686 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 -3.213 16.504 -5.567 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 0.639 -4.516 4.434 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 -1.772 -12.054 -10.065 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 14.032 13.883 14.586 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 1.100 -6.729 1.709 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 3.722 -10.095 3.006 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 2.130 -0.143 0.402 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 -2.094 3.605 -1.080 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 1.728 25.429 4.858 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 -18.531 -12.841 20.545 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 4.157 4.468 6.220 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 -16.125 8.159 9.570 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 37.712 6.096 -10.232 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 -1.944 -1.248 -2.634 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 -8.812 -9.263 22.261 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 -0.352 -6.722 6.023 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 5.681 1.715 3.123 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 20.452 2.714 1.903 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 -1.960 10.006 12.983 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 -9.971 0.710 5.212 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 -4.123 -7.816 -13.644 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 -25.887 -3.167 14.561 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 9.160 4.436 -2.301 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 8.603 -1.711 -6.474 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 2.495 6.250 -4.503 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 7.540 -1.548 -3.334 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 12.936 -3.460 -11.192 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 4.000 0.145 -11.524 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 0.911 -4.881 -1.951 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 8.350 -1.551 -13.178 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 10.772 2.922 11.205 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 -10.039 -2.569 -1.759 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 21.482 28.284 3.890 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 3.075 -11.579 8.809 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 -5.946 -1.040 -4.046 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 -12.712 2.592 7.975 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 0.345 -4.939 -10.212 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 -7.629 -0.272 2.672 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 -4.809 7.859 -0.223 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 5.259 -0.745 -17.694 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 -1.674 -0.048 0.304 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 -6.834 14.989 -22.325 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 12.286 14.462 -2.214 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 2.356 4.574 -3.898 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 0.853 -12.744 -10.570 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 2.787 1.103 5.238 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 -5.131 0.427 1.822 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 -4.677 -5.819 0.065 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 -4.852 -1.251 1.413 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 -7.174 3.009 5.473 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 19.640 -3.623 9.601 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 -0.701 21.896 3.516 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 0.450 -0.970 -1.288 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 -4.020 5.838 -9.336 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 -15.808 16.409 -25.471 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 0.830 -0.691 3.063 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 7.705 2.454 2.421 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 6.246 0.332 4.099 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 -0.094 2.197 -4.958 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 -13.528 -2.355 17.003 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 -34.981 -15.480 -0.419 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 -3.458 -3.039 -4.151 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 -0.457 -4.098 -2.114 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 -26.178 -0.635 0.134 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 -2.319 -0.844 1.691 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 -3.794 21.647 2.184 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 15.814 4.985 -9.089 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 2.586 7.016 4.551 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 -4.238 -8.416 -3.126 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 13.671 7.177 0.569 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 -0.699 5.329 2.585 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 9.831 1.204 11.663 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 -16.183 -2.677 -18.299 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 -4.293 4.613 5.567 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 -2.046 0.007 -6.206 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 -20.878 -7.149 11.779 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 5.041 -9.402 0.052 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 -7.054 18.197 2.774 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 8.659 -5.983 14.098 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 3.894 -0.435 0.805 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 -16.454 8.182 -25.214 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 9.502 -0.844 -9.120 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 2.258 0.824 0.088 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 2.937 21.881 -28.424 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 21.523 -17.649 -24.521 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 -1.716 -3.476 0.375 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 11.578 3.568 30.842 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 -40.023 -18.460 -4.533 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 -0.803 6.387 0.069 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 -10.037 -18.471 17.693 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 -4.150 -23.234 13.608 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 -2.289 0.245 -7.211 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 -11.446 -0.808 0.428 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 18.769 3.112 1.938 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 -9.173 -1.680 0.854 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 -16.761 3.935 8.153 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 -11.796 3.554 -22.707 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 -3.735 3.938 -1.827 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 13.610 25.738 9.603 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 -8.364 -1.005 -9.168 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 -2.733 3.592 1.317 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 -9.172 4.530 2.959 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 -8.045 13.190 1.249 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 2.135 -2.547 8.540 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 17.609 8.773 -6.805 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 -30.516 24.424 -4.611 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 0.071 -1.829 8.256 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 20.430 -0.543 8.717 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 -12.416 -8.853 8.188 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 -2.699 -1.719 -0.648 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 -2.491 -1.548 0.596 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 -2.877 22.146 0.912 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 -1.359 -2.788 -2.695 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 7.025 1.719 1.532 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 3.031 2.275 -16.030 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 3.427 -6.900 -1.389 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 10.963 0.484 -15.576 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 -7.795 -18.258 -6.768 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 -2.232 3.873 -2.818 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 -13.543 -16.244 3.731 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 -9.478 15.003 -6.460 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 -5.641 -1.202 -7.242 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 -0.038 -1.440 -7.986 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 -9.010 0.842 13.292 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 3.214 0.670 -0.298 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 -1.220 22.205 -41.090 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 -23.274 -2.498 -3.186 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 -7.836 -2.128 -4.652 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 2.571 -2.725 -4.637 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 -30.300 4.244 1.829 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 -1.553 2.578 -4.322 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 -14.946 3.432 -10.648 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 -10.625 -6.016 11.855 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 -0.703 3.801 4.442 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 -6.382 7.212 -11.854 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 7.302 11.300 -4.926 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 -3.911 -4.761 2.904 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 -10.302 -22.175 16.192 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 2.217 5.266 10.058 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 -2.678 -6.315 -3.807 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 -15.278 -2.642 4.547 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 26.985 -8.220 -10.839 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 5.493 3.457 -0.863 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 7.545 8.112 -8.771 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 7.763 -4.315 3.081 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 0.798 -0.888 -8.629 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 -2.868 15.921 1.934 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 7.061 -6.278 -2.843 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 -8.986 5.864 -2.456 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 12.956 -16.289 1.417 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 3.157 28.471 -6.072 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 4.013 -5.860 3.001 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 -0.972 -9.110 10.881 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 13.753 -12.672 -16.865 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 4.195 -4.591 5.562 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 15.855 -2.363 4.969 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 -16.803 -4.262 7.552 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 -9.556 2.805 0.562 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 -13.260 -1.626 -22.338 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 -8.121 3.826 5.067 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 1.361 -4.195 -0.769 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 -1.332 0.213 -15.974 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 -4.308 -18.594 19.473 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 -7.959 -0.518 12.426 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 -18.511 -17.688 -12.076 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 2.846 -10.467 -10.807 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 -5.153 1.761 -2.132 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 2.641 -0.793 0.384 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 10.413 22.468 17.939 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 3.442 -5.268 8.706 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 4.400 -8.050 -14.556 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 -1.107 -6.526 -19.476 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 -1.352 -3.729 -3.905 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 21.143 31.079 -1.189 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 2.666 7.900 -7.114 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 2.190 -3.557 1.777 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 13.065 2.741 -2.513 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 7.424 -0.338 -0.163 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 -7.006 -3.102 0.950 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 1.785 15.622 8.218 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 -9.901 -8.448 0.206 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 -2.587 -7.338 7.334 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 -9.922 0.239 2.556 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 -13.004 0.611 -0.734 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 4.162 -2.634 -2.545 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 -15.087 33.077 -15.294 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 14.467 -21.054 0.493 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 1.591 -2.697 -1.696 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 -11.350 -13.656 -21.592 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 22.367 2.666 18.377 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 -0.103 4.230 1.809 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 -11.294 1.416 -4.535 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 -3.556 -13.233 11.898 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 1.191 -3.222 -3.401 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 -8.049 -7.717 4.681 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 3.024 -6.154 -13.993 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 7.083 -0.616 -3.973 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 2.765 -11.655 14.287 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 1.246 2.518 -14.976 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 -1.203 1.020 0.838 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 5.117 5.868 -9.976 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 -7.661 16.122 12.053 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 4.578 -2.512 -2.161 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 8.669 3.173 1.768 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 -14.698 -15.035 21.082 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 0.317 -1.660 1.652 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 -9.873 2.088 0.148 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 -7.103 7.090 -10.306 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 -0.794 1.211 3.859 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 0.731 6.421 -4.071 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 6.880 -6.993 12.333 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 -6.042 -1.279 -2.880 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 4.942 18.845 -0.117 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 3.841 17.402 -1.012 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 6.176 -5.157 -2.951 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 9.411 -4.910 -5.975 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 7.346 -7.632 -6.650 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 6.414 -8.660 -5.796 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 -2.315 -26.067 -20.493 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 7.819 -9.517 -10.263 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 -4.729 -6.616 -4.809 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 -1.213 -18.706 -9.487 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 2.270 -1.649 -12.892 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 -0.698 -1.744 -2.140 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 -1.498 -1.764 -2.158 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 -22.465 7.644 18.073 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 -3.553 5.525 -3.883 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 -16.638 4.826 -5.095 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 12.005 4.598 -4.320 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 0.309 -0.229 0.522 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 8.214 -10.528 0.567 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 3.549 -7.909 5.423 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 8.744 1.032 0.370 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 8.986 -0.528 -9.515 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 17.481 -2.482 2.867 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 -6.400 -0.143 0.036 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 2.201 20.657 -17.070 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 -6.758 3.113 -2.910 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 0.630 0.387 -4.768 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 -15.406 -4.915 9.360 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 14.744 -5.475 -17.995 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 -1.320 -5.836 4.954 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 -12.233 -4.178 -0.782 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 -2.348 -11.177 -7.369 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 -1.341 2.004 -3.578 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 13.644 -2.814 1.451 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 4.102 -13.159 -3.521 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 -4.756 -4.308 5.641 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 -3.820 4.398 9.232 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 -4.212 -6.615 4.887 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 -2.726 0.909 -1.967 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 -17.420 -11.832 -7.403 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 -13.911 14.307 -17.926 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 -0.487 -0.658 1.637 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 -7.813 2.009 26.925 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 0.377 -2.394 -5.471 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 -6.090 -4.083 -2.047 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 -17.511 -1.765 -15.817 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 3.585 9.471 9.065 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 0.530 0.950 4.657 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 -5.709 -1.922 28.783 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 -4.715 3.228 3.922 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 5.026 3.781 -5.834 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 -4.812 18.373 -0.246 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 17.894 9.213 10.895 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 2.275 -0.327 -1.985 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 7.730 5.732 -15.120 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 -3.476 -13.860 -7.758 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 -3.458 6.148 0.999 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 3.116 3.206 5.715 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 -1.247 -8.173 -10.978 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 -1.354 -1.036 4.038 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 11.068 -2.607 19.316 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 -12.368 -14.618 2.174 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 0.580 6.620 -5.126 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 -18.039 13.900 -11.320 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 11.034 -15.321 -2.066 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 5.418 0.760 6.130 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 -8.476 7.861 10.913 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 10.101 -1.207 3.556 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 0.188 -2.135 -3.518 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 6.216 -5.213 1.758 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 0.407 -0.317 -0.792 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 4.941 -1.778 2.977 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 17.761 -11.291 0.085 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 -19.261 7.297 -9.393 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 -3.766 0.934 -1.034 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 -9.913 -7.774 -10.776 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 -6.608 -5.181 -6.181 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 -0.661 0.974 -1.046 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 -7.210 22.305 3.591 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 0.635 -1.630 -1.555 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 3.560 2.393 -3.062 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 0.340 11.114 -8.327 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 13.740 -14.241 7.292 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 4.254 -1.319 -5.293 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 -7.340 20.662 -15.567 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 3.454 -7.164 -15.502 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 0.363 -3.652 3.348 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 3.061 -9.410 23.689 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 1.958 0.442 -33.799 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 -1.028 -3.479 -1.956 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 -0.058 2.890 -24.273 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 -12.791 19.308 13.716 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 3.620 -4.178 -0.982 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 27.477 -11.432 9.273 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 7.991 -3.420 1.866 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 3.431 -5.469 4.996 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 -12.883 -0.879 6.984 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 6.479 -0.893 -8.692 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 -4.787 -2.841 3.030 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 2.480 -9.631 14.699 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 -10.047 0.790 4.540 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 1.013 0.967 -6.225 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 -3.335 0.090 -7.042 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 -1.746 -4.019 -11.879 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 -0.117 -4.502 2.686 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 13.100 -7.229 11.429 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 -25.508 -0.222 -10.590 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 0.699 -3.235 3.270 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 3.062 -8.990 -1.759 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 17.543 -6.230 7.891 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 -3.083 -5.701 2.197 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 -2.182 -7.411 -5.055 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 -1.500 -8.927 1.344 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 0.298 -1.749 -1.785 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 10.603 9.218 2.786 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 34.173 20.597 -26.463 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 1.658 -0.579 2.479 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 17.012 27.117 -14.098 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 -18.886 -14.743 -1.794 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 3.207 -7.919 0.155 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 -19.094 -0.807 12.466 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 -6.895 -20.728 -26.735 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 8.742 -8.577 -2.212 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 -5.503 -23.010 -0.184 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 0.264 4.518 -14.352 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 1.094 -2.534 3.272 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 -4.340 -7.944 5.766 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 2.184 -0.359 5.469 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 -1.157 -4.025 4.654 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 -1.426 7.356 36.432 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 13.689 7.057 12.126 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 -4.600 4.397 -7.921 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 -6.164 14.503 -5.941 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 -6.196 -34.582 8.598 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 -6.924 6.313 -1.523 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 15.451 -4.151 12.440 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 -3.183 2.939 2.332 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 3.733 -1.968 -0.662 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 6.329 -15.910 2.757 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 -4.754 -14.086 -19.586 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 2.803 4.236 4.692 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 -17.304 -0.728 16.827 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 -14.295 5.644 21.967 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 1.817 -8.155 -6.904 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 -6.988 -5.816 -9.237 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 13.236 0.254 -0.436 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 4.194 -0.923 6.414 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 -2.846 -10.149 -9.794 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 -4.866 -10.092 24.942 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 1.981 -2.315 -1.533 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 9.961 -12.048 -14.662 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 -7.076 -1.129 0.048 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 -3.152 4.576 1.503 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 -6.901 11.814 14.151 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 23.282 3.590 8.358 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 -1.804 -3.743 -7.382 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 -12.286 -6.255 -7.084 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 5.379 -5.659 -3.851 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 1.584 -12.182 3.416 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 -8.855 -14.972 -3.956 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 8.935 -30.618 -2.350 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 3.138 -0.247 -3.419 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 7.512 5.871 5.475 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 4.031 23.499 11.188 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 0.875 0.089 -0.690 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 -7.532 11.012 12.818 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 15.711 20.171 -19.245 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 -9.082 -3.938 -6.263 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 -6.639 -6.577 7.393 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 -8.849 -3.351 -9.167 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 -1.882 4.133 4.370 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 2.229 10.448 6.298 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 3.184 -1.515 8.230 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 -2.128 1.166 4.540 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 -6.342 10.985 3.249 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 8.402 -7.635 21.092 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 1.591 3.195 -3.631 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 -17.693 -2.337 -10.765 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 9.667 -10.626 -8.367 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 1.185 2.889 0.168 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 10.573 -16.233 3.560 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 5.390 18.490 -11.225 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 -4.232 1.894 12.077 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 7.506 15.164 -10.802 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 -26.830 4.637 -5.952 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 10.349 0.075 -5.074 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 10.373 -6.699 2.040 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 7.950 3.868 -3.765 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 -1.576 -8.687 -0.979 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 -1.283 -19.500 15.241 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 17.599 -5.496 -5.449 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 -4.276 -2.807 1.762 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 -3.507 -9.636 -0.215 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 -11.928 -32.095 -2.351 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 -0.855 3.057 2.221 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 -21.806 5.424 -1.933 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 8.725 11.116 -11.363 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 4.512 -2.518 -2.981 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 -3.812 22.908 30.650 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 -6.719 -9.058 5.229 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 -2.380 8.950 -5.935 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 -4.362 -16.700 -0.107 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 8.089 3.396 -9.646 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 0.465 2.461 -2.652 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 5.825 -5.884 -13.203 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 17.514 -5.083 4.736 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 0.117 -1.275 -0.814 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 -1.531 -10.526 2.195 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 -2.782 3.469 7.080 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 -0.817 -1.839 -0.444 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 -9.921 1.245 -9.413 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 -4.659 2.573 -2.149 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 3.010 0.056 6.238 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 7.939 14.658 10.462 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 -6.914 -9.995 19.148 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 7.158 0.078 8.534 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 21.176 -4.998 11.950 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 -3.705 1.342 11.139 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 0.254 1.454 6.158 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 -9.028 18.776 -16.281 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 2.048 6.993 19.734 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 4.333 7.045 -3.102 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 43.232 0.982 -10.080 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 -14.101 18.609 -17.139 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 0.869 -4.879 -4.169 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 9.935 -10.457 9.770 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 9.428 16.561 -2.967 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 0.917 -0.707 2.459 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 26.873 -3.749 0.525 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 2.754 6.027 -9.832 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 -2.965 1.741 -1.723 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 2.817 15.073 8.499 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 10.390 7.440 1.292 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 0.588 5.270 -3.802 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 -12.785 9.180 8.512 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 -2.875 -14.843 1.447 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 -2.668 -3.801 6.004 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 -20.011 -19.749 3.424 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 -15.487 1.432 -2.007 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 2.623 -2.717 -4.498 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 13.522 -6.817 16.446 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 -34.941 -5.602 -4.287 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 -3.909 -6.659 2.572 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 -5.502 -10.147 -0.714 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 -1.695 -4.123 9.673 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 -1.247 -1.356 0.582 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 8.116 -0.367 15.064 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 -22.316 1.603 -8.396 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 5.294 0.040 3.338 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 7.517 13.180 1.864 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 -4.674 -3.809 -0.862 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 -3.707 -4.620 -4.592 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 -3.234 -6.250 -16.044 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 -4.163 -11.159 -12.896 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 -3.677 -1.637 -4.802 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 -9.340 5.069 -2.127 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 25.210 -19.827 -9.307 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 -4.038 -0.062 2.718 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 -16.323 -5.021 -6.761 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 7.933 -22.248 15.899 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 1.113 8.476 -3.141 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 -4.562 9.697 -15.275 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 -9.729 14.718 -4.438 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 -0.443 -7.581 2.013 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 -7.256 -3.475 5.926 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 -1.501 -11.745 -7.147 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 -2.139 6.831 -0.472 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 14.581 -9.531 -8.109 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 -15.390 1.664 -18.049 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 -4.486 -3.421 2.725 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 -9.557 6.448 -1.353 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 -24.518 -18.587 -22.194 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 -1.590 -0.403 -3.498 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 -19.538 23.237 5.185 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 0.677 11.513 28.519 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 1.645 3.116 4.351 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 7.457 7.063 -1.602 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 15.620 5.832 -1.920 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 0.342 3.282 -7.094 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 -16.149 -1.491 12.069 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 -2.279 8.086 14.525 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 6.974 -7.245 -0.172 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 36.551 -0.851 -10.258 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 -0.120 -4.253 2.335 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 -1.288 1.614 -2.194 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 10.656 3.910 9.067 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 -0.533 -44.538 -13.011 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 3.717 -3.505 -1.199 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 3.808 -12.388 -9.779 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 13.724 -11.805 4.827 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 -0.709 0.266 0.564 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 -7.527 7.171 -15.777 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 3.045 -3.262 7.564 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 0.291 -1.316 -6.065 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 15.728 -14.929 19.938 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 2.329 -4.799 -1.178 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 -0.183 -1.754 6.750 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 -4.175 -0.325 30.163 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 1.762 -16.972 -5.681 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 -1.073 -3.416 -1.866 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 10.335 -9.449 9.475 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 -23.997 8.372 -28.665 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 0.439 -1.522 4.552 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 9.018 5.155 25.743 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 -4.470 -16.910 1.617 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 -1.045 -3.619 -5.791 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 5.559 -11.225 -26.996 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 -36.576 7.871 -8.965 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 -0.908 5.917 0.317 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 -10.834 7.916 -16.007 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 -13.272 -8.987 8.866 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 2.459 8.640 -1.857 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 2.494 -8.404 0.347 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 14.311 13.789 -4.466 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 -4.590 -1.561 5.856 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 -8.414 -25.337 7.089 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 -4.204 -10.338 6.069 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 -4.566 -1.554 5.240 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 11.149 24.124 8.317 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 -12.114 -2.623 5.169 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 8.495 1.004 -5.433 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 13.227 -17.033 -8.543 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 5.577 14.502 -10.831 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 -5.002 7.156 2.725 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 -2.816 5.972 -0.724 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 4.916 -2.860 18.536 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 7.319 -2.065 6.036 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 -13.445 -18.893 -21.538 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 -3.060 -10.324 32.652 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 -0.478 8.172 -0.226 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 -9.070 10.107 -22.563 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 1.035 6.126 10.875 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 1.489 -2.461 -1.499 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 -1.937 11.174 -5.844 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 -0.609 -15.332 -12.540 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 5.867 -1.268 4.862 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 2.294 -2.789 7.183 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 -1.205 4.734 10.744 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 2.892 1.137 2.908 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 -22.378 0.063 -7.743 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 12.945 -8.690 10.198 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 -1.815 2.086 -2.480 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 -5.189 -3.569 0.462 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 -5.531 -0.313 -7.095 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 0.422 -3.503 -2.984 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 9.910 -5.581 7.033 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 4.417 -18.247 11.997 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 0.391 -4.970 4.282 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 8.544 15.392 -10.201 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 12.666 -6.363 -12.035 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 -2.700 5.719 -1.155 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 22.059 -4.123 -20.952 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 -16.813 1.343 -6.281 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 -0.553 -2.872 6.108 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 -4.245 3.984 11.309 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 44.297 -10.500 -4.587 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 -3.032 -1.150 -1.225 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 3.388 -2.604 5.984 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 -0.383 2.746 0.409 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 -0.677 4.615 -5.809 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 12.764 -3.253 -12.701 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 -14.232 -23.140 -22.750 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 7.406 -3.863 -0.365 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 -11.675 -13.372 -0.533 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 8.865 -10.388 -1.386 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 -5.437 3.940 3.171 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 -12.236 17.021 -16.052 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 -14.488 11.269 -7.176 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 -9.762 -2.474 -1.134 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 -19.932 -9.239 -6.795 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 9.228 -3.407 13.004 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 0.910 7.205 6.120 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 15.891 1.889 -38.018 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 -11.427 -23.834 -21.015 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 5.691 -6.424 1.375 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 7.407 1.596 2.055 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 1.495 -4.289 1.016 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 2.518 -1.240 -6.301 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 7.027 8.417 1.447 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 -12.523 16.579 0.582 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 -9.010 3.872 -2.531 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 8.670 15.868 12.895 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 -33.158 -0.897 -3.152 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 -0.719 0.172 -2.557 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 2.617 -3.026 -12.841 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 -10.489 -2.620 -16.404 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 -0.135 5.503 -1.110 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 -2.219 -0.123 1.188 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 0.123 6.991 -2.228 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 2.404 -1.169 -3.813 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 17.683 -16.158 18.206 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 16.169 12.202 -10.129 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 8.173 -0.466 -3.988 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 25.735 -10.616 -31.570 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 4.128 0.232 -6.086 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 14.350 -2.473 -5.258 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 3.014 -9.394 0.370 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 17.624 0.807 -4.679 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 2.805 -2.039 -4.377 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 13.644 13.189 8.725 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 -0.809 -9.167 1.111 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 -3.017 1.506 -7.515 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 4.933 -10.709 4.841 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 -1.642 15.449 0.727 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 0.235 1.569 -6.384 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 -29.661 1.186 -11.167 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 20.616 -22.944 5.847 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 2.755 4.679 0.151 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 5.671 -4.414 6.082 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 -3.972 10.138 3.766 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 4.094 -5.439 5.299 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 7.852 0.688 4.085 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 5.626 -10.486 1.887 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 -0.551 0.238 1.618 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 -5.520 8.216 5.278 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 4.266 -7.942 -3.032 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 -0.453 -1.822 -1.650 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 -5.175 -19.537 -18.928 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 2.152 -6.284 12.080 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 -5.236 -0.347 -1.323 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 1.543 0.168 -7.788 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 -2.706 3.589 3.201 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 3.282 6.109 -0.867 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 6.479 1.372 4.040 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 12.012 -8.137 2.126 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 -4.198 -3.997 4.457 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 -7.748 16.008 -6.996 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 -11.299 21.823 -13.879 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 -2.843 -1.356 2.786 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 -26.659 16.937 -14.289 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 -10.073 -16.028 3.090 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 -5.911 2.808 -6.492 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 -6.867 11.081 -10.362 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 12.537 -16.356 3.330 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 5.013 -1.455 -1.111 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 -6.591 6.682 2.901 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 0.166 -2.163 8.046 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 0.261 -0.420 -5.560 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 -17.365 -19.959 -0.841 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 -4.715 -2.010 2.845 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 -5.967 6.066 -4.760 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 9.971 12.497 -29.083 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 22.892 29.385 22.004 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 -8.738 -0.116 -7.958 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 -13.941 1.125 -5.694 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 -7.827 -3.475 -10.104 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 4.001 -6.252 4.699 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 -11.986 17.363 -44.129 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 10.780 -7.632 10.135 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 -2.987 9.860 1.903 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 -7.494 6.989 7.138 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 -12.319 3.839 11.567 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 6.312 4.044 -7.727 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 0.914 2.979 18.352 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 -2.856 4.337 32.143 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 5.915 2.412 -0.192 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 11.993 -10.598 6.498 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 6.528 -0.286 -16.292 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 2.955 0.509 0.889 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 1.002 19.020 -19.345 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 -8.709 6.446 -7.795 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 1.515 4.934 -1.693 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 4.662 1.092 -6.938 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 5.116 8.992 -2.346 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 3.659 4.741 -5.133 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 0.352 4.803 -7.887 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 4.789 -0.449 -6.513 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 -0.331 1.404 -8.540 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 10.466 9.535 -12.971 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 -21.707 -6.614 -13.977 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 -4.743 3.136 2.813 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 15.579 16.877 12.771 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 -19.182 25.423 0.418 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 -2.128 -8.203 4.020 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 -16.436 -23.167 -0.364 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 3.808 10.597 7.147 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 3.123 -2.094 6.098 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 -22.786 0.060 -4.032 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 4.163 2.460 13.820 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 -5.926 0.232 1.571 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 -7.951 -7.039 9.406 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 -4.242 2.058 3.316 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 -3.093 3.708 -5.943 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 19.707 -18.336 -5.198 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 -1.671 14.163 16.222 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 1.274 -11.691 -3.429 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 2.684 -13.648 3.410 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 2.025 -13.670 -12.167 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 -1.286 2.667 2.286 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 -2.119 2.847 8.758 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 -1.917 4.407 -5.511 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 2.162 0.714 -1.785 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 2.246 2.692 -7.004 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 4.011 6.552 12.758 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 2.013 5.295 -0.199 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 -16.021 15.210 -6.588 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 26.910 -16.902 20.326 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 3.935 4.920 6.286 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 6.441 8.088 7.720 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 0.716 -9.499 8.467 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 1.786 -1.542 5.182 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 6.151 -10.521 4.509 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 -3.671 -1.613 2.009 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 4.787 3.171 7.687 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 10.346 -16.913 12.695 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 7.745 -13.659 10.277 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 0.423 4.707 4.853 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 -8.124 11.345 -9.027 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 -5.998 13.588 -18.569 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 5.650 -8.731 3.230 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 -6.945 5.366 18.045 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 3.822 -8.645 6.432 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 -2.334 -1.316 -2.496 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 5.181 1.821 -3.586 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 -3.579 -1.793 -4.792 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 0.170 2.463 1.023 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 -20.005 42.828 -5.515 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 -1.678 -7.959 15.277 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 0.986 5.312 2.417 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 1.646 5.295 5.956 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 -15.440 8.100 0.534 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 8.662 -3.438 5.461 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 -2.257 -1.842 -5.631 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 -2.156 -7.618 8.216 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 -0.750 3.755 6.208 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 -13.987 -1.946 7.235 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 -5.119 12.564 -0.519 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 -0.124 -3.218 2.174 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 -12.083 -8.368 -7.486 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 11.691 5.904 -0.432 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 -0.634 -7.253 -0.882 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 -3.036 -0.196 -6.377 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 11.989 -7.355 5.262 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 -1.604 0.770 5.257 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 -3.820 4.423 5.238 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 -12.577 26.747 0.498 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 -0.214 -0.358 2.407 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 -0.270 -25.347 -15.172 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 25.616 9.924 22.116 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 -0.978 -2.042 4.238 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 3.136 -14.079 5.103 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 0.022 -14.962 7.732 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 2.846 -1.567 3.371 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 4.020 -9.058 -27.897 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 -43.475 -30.631 12.475 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 3.389 -0.905 5.869 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 -5.467 -12.564 -12.580 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 17.990 -25.385 0.068 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 -2.672 3.378 8.067 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 -21.453 -20.010 -9.840 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 25.903 15.007 9.698 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 -0.562 -1.294 -3.358 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 -6.070 -0.416 -4.510 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 0.264 1.537 -3.751 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 0.527 -1.527 -3.129 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 -4.835 -8.509 -0.372 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 4.351 -0.892 -3.207 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 -3.411 4.457 -2.257 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 -6.823 20.047 -6.062 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 -0.966 1.384 -13.994 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 4.875 -2.374 6.875 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 17.426 14.836 -6.786 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 -6.503 -8.968 6.992 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 -1.159 3.540 3.928 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 2.673 38.561 17.331 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 7.294 -7.395 23.127 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 3.483 -1.866 -1.414 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 5.780 0.692 -12.392 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 1.654 1.389 -5.463 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 -1.482 -0.867 6.609 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 2.858 11.707 -1.222 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 -2.139 -6.619 -10.033 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 2.163 -1.163 2.900 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 2.717 -1.883 5.790 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 0.055 6.394 14.627 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 -2.489 -0.719 5.881 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 -11.220 -5.514 8.294 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 2.391 2.611 -1.013 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 6.033 0.154 -3.814 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 28.838 -1.781 10.195 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 -14.293 10.788 -0.859 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 -1.451 8.553 -5.112 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 4.632 12.347 -7.768 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 -7.079 13.500 -1.200 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 2.118 -3.799 -2.799 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 4.003 -8.917 -3.065 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 -11.497 10.880 -9.634 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 2.634 1.749 1.202 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 4.178 6.265 -7.514 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 6.401 1.389 7.414 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 -9.358 2.314 -4.731 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 -6.708 10.866 -12.986 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 -20.871 8.779 -3.886 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 -0.136 0.206 2.647 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 26.000 -7.651 -4.247 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 -4.332 1.837 18.282 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 0.044 -0.729 2.230 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 17.724 13.540 -0.167 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 9.639 7.145 -1.745 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 -8.646 3.484 1.396 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 -21.244 28.560 10.547 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 32.668 -4.842 8.844 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 1.376 1.409 -4.132 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 -3.029 -8.765 -0.979 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 7.087 3.273 -30.568 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 -0.042 -3.863 -0.298 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 -0.221 -19.097 -21.287 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 0.604 8.647 17.460 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 -7.957 1.159 -2.354 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 34.641 6.826 -6.753 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 -4.626 7.324 31.086 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 8.461 -3.475 -6.396 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 6.686 0.876 7.694 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 -0.176 -2.231 -22.343 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 -7.095 -2.448 5.887 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 -5.659 21.306 -19.005 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 16.188 -1.091 32.685 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 4.304 3.430 -1.839 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 -3.429 13.653 -2.689 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 5.692 4.323 5.307 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 6.475 1.103 4.473 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 -8.093 -15.603 13.622 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 -7.819 0.786 3.009 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 -1.123 2.662 7.035 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 -0.846 -0.126 -1.896 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 0.156 -3.538 14.640 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 5.454 -2.513 -3.888 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 16.154 -5.765 -0.792 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 -20.823 5.256 -2.589 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 2.653 -1.126 10.619 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 10.559 29.806 -3.053 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 -4.928 -11.528 19.259 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 0.356 1.119 -0.787 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 -4.938 -2.500 -4.335 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 10.708 14.757 3.985 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 -3.746 -3.277 -4.140 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 -0.051 -6.260 2.663 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 -3.038 -4.361 -4.226 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 0.245 5.887 7.377 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 -12.430 -9.667 2.752 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 0.126 9.943 -19.530 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 0.675 10.198 0.461 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 -0.942 4.108 33.389 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 4.771 -22.226 16.641 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 -9.427 -3.811 1.011 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 10.882 -13.175 10.357 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 14.230 -6.965 9.125 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 -0.895 -3.918 2.658 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 -6.068 -13.122 12.535 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 12.986 7.022 7.344 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 9.104 -1.672 -8.656 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 3.899 20.606 0.111 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 -4.681 -2.958 4.929 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 6.440 -0.794 -6.850 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 17.866 6.569 -21.033 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 8.823 -1.250 -9.048 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 2.510 -2.076 2.567 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 20.202 -5.199 26.064 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 -24.180 24.925 21.365 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 -4.307 4.391 -6.006 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 -8.716 6.102 -4.729 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 -2.670 1.763 -3.059 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 -2.945 -3.587 6.106 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 10.642 -8.569 -0.412 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 15.059 3.030 17.324 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 2.601 -5.584 1.466 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 0.948 -3.733 4.220 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 -3.382 -2.220 3.048 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 6.789 2.436 2.138 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 17.448 5.595 0.943 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 -21.419 -6.628 8.718 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 4.527 -2.756 2.072 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 -7.731 9.828 7.454 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 14.854 -7.132 -1.099 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 -1.939 0.394 1.810 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 11.682 -0.237 2.243 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 4.665 -1.323 -11.574 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 -2.731 0.265 1.238 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 11.359 -14.875 -8.081 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 -16.002 10.411 1.175 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 -1.490 -6.845 -3.051 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 -6.416 10.093 0.353 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 -26.552 -11.554 5.057 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 2.462 -9.154 5.025 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 4.717 11.762 20.536 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 6.355 -17.742 -31.293 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 -3.225 2.266 0.642 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 6.586 0.516 -4.082 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 -46.803 11.850 2.164 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 6.256 -1.400 -0.127 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 1.054 -2.501 0.036 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 4.441 -0.574 5.322 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 -0.627 1.861 6.791 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 3.633 -3.566 4.463 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 7.805 -13.399 3.743 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 2.961 -7.053 -7.319 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 -10.264 0.589 -9.924 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 5.837 6.458 -6.655 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 -3.448 -2.472 1.943 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 5.831 19.026 10.414 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 -25.706 -2.053 6.877 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 3.875 -2.339 -1.800 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 0.330 -3.935 -15.679 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 5.345 -3.999 3.567 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 -3.795 0.202 -0.881 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 22.308 -9.433 2.548 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 8.066 2.064 4.270 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 6.654 3.245 4.023 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 11.815 10.608 -0.243 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 -0.390 7.051 6.931 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 -1.081 -6.905 -4.491 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 -22.013 -26.200 -5.358 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 -7.907 -1.999 5.282 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 -1.611 4.415 2.486 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 20.763 -6.389 6.095 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 -8.439 4.977 -6.649 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 -0.557 4.099 3.149 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 0.851 10.023 10.872 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 -8.530 -16.700 5.752 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 0.374 -0.775 0.878 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 -5.338 -2.866 -10.248 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 2.763 -8.962 -9.082 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 3.749 -6.418 2.558 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 9.970 -3.273 -0.893 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 12.138 -3.516 -1.748 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 1.278 1.806 -0.382 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 18.172 2.033 9.222 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 21.873 -0.990 3.389 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 -1.855 7.439 -1.223 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 -7.625 -26.797 -10.674 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 10.952 18.390 14.163 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 -0.152 -3.030 4.278 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 -13.095 37.243 -23.802 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 19.533 -36.095 11.697 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 9.800 7.194 -1.275 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 8.708 6.909 -0.314 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 3.767 0.089 -3.275 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 -5.577 -2.913 2.969 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 -17.114 -13.323 -2.446 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 7.823 -13.011 6.748 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 0.537 -4.539 -0.213 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 -12.305 -7.895 1.838 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 -5.805 -6.913 1.503 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 -8.126 2.913 -1.165 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 11.569 -6.332 -22.330 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 -3.182 -2.656 -13.013 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 1.818 1.964 -1.985 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 7.048 -0.663 6.879 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 -2.736 4.039 -9.771 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 -1.463 -0.186 -2.922 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 2.574 -0.422 4.536 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 -0.175 -18.418 3.984 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 -3.057 -3.784 -6.887 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 -11.219 -2.906 5.494 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 7.933 -20.349 5.138 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 2.062 -4.769 -0.613 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 -14.916 -1.664 5.310 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 5.135 -0.505 -11.439 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 -0.500 7.074 5.935 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 11.271 12.379 1.754 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 -5.979 10.887 9.397 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 2.729 -0.797 -0.187 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 8.891 27.944 3.687 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 -8.236 -9.178 -2.409 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 3.736 1.110 5.149 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 -3.285 -4.312 25.088 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 10.782 30.193 -18.656 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 -5.769 10.227 -2.117 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 5.117 -13.086 19.617 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 11.904 14.144 -1.170 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 -2.465 3.840 1.620 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 18.388 -15.804 -8.048 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 -7.594 -9.290 -4.123 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 -0.270 -0.008 -1.044 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 -3.455 -3.001 -3.537 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 12.672 5.358 0.497 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 -8.538 5.304 -6.610 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 -2.454 -11.250 2.709 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 5.097 -24.944 11.218 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 -3.091 -0.521 3.049 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 -29.392 9.997 -2.877 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 10.839 9.620 -8.605 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 -1.667 -4.847 3.621 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 -7.370 -6.207 3.737 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 -18.097 3.061 5.720 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 2.107 -0.571 -4.103 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 -8.901 8.848 -3.027 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 -4.375 -12.608 -2.399 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 0.455 6.022 2.521 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 -6.313 10.723 2.626 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 -2.837 -3.061 -8.152 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 -3.498 12.796 3.737 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 -1.231 16.568 33.798 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 12.335 26.921 -10.860 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 -2.411 -7.241 0.241 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 -1.195 4.887 12.033 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 -14.501 -15.150 -1.877 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 -5.027 0.870 1.547 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 -21.751 -0.917 -9.085 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 3.086 -13.464 -4.485 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 2.733 -5.620 1.013 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 6.041 -10.833 -1.799 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 21.260 12.708 -15.211 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 2.542 -8.816 -0.294 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 6.949 -5.322 -6.910 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 -0.116 -8.957 2.469 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 0.772 0.549 8.986 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 -7.518 1.320 -0.920 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 -2.184 2.467 10.170 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 -2.077 -2.231 1.551 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 -15.512 -14.356 27.143 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 -4.506 -8.036 13.706 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 2.168 -2.887 10.370 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 -20.533 7.918 -4.955 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 10.411 4.393 1.519 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 4.329 -4.910 5.131 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 -2.629 -9.689 24.409 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 8.584 -28.287 36.011 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 -0.420 -3.272 2.092 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 4.021 8.423 -19.156 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 -3.745 -7.347 10.054 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 -5.088 -1.180 2.521 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 8.200 -12.560 1.412 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 -18.822 -8.967 8.528 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 -4.189 -1.530 -8.508 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 2.857 -16.125 5.341 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 9.234 15.060 -8.182 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 -4.026 2.852 1.353 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 4.023 4.294 3.925 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 -14.106 3.055 -4.632 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 4.423 1.130 5.631 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 18.398 -18.142 26.475 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 -7.026 -6.947 -8.801 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 3.380 -6.761 -9.579 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 2.841 -6.961 -7.362 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 0.073 -0.714 -0.384 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 -1.653 -3.893 3.051 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 25.500 18.274 -3.713 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 -17.698 -14.569 -6.822 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 5.137 -2.923 -1.211 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 14.442 7.349 2.073 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 -5.851 -12.369 -0.115 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 -4.285 -5.218 -4.444 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 -11.425 -22.766 -1.174 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 0.796 14.942 -2.651 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 -3.741 -3.569 -2.393 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 -2.227 -7.790 -2.018 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 11.045 5.711 4.001 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 -2.900 -2.673 2.535 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 -5.681 -8.768 -2.273 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 6.743 0.958 15.998 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 0.158 -6.168 -5.311 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 28.743 6.804 2.769 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 0.211 -10.415 -24.332 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 -0.268 9.477 -2.161 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 5.434 16.009 -17.757 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 -9.732 -11.097 -30.901 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 -2.271 0.409 -2.097 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 -41.891 -5.662 7.889 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 -5.961 -29.819 0.540 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 4.672 -3.825 3.060 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 20.610 -3.550 22.673 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 2.719 -2.354 11.558 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 -5.669 2.891 -5.738 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 -3.827 -26.779 -19.095 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 12.331 3.545 9.702 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 -0.498 6.295 6.229 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 11.126 -8.938 4.226 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 15.776 25.854 -6.255 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 -0.067 -2.524 10.801 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 -31.717 -11.844 -13.526 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 10.458 -29.028 38.257 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 -0.236 4.607 -4.151 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 -6.705 -0.463 -4.079 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 -15.536 14.450 -1.635 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 -3.601 -1.763 -7.133 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 -12.899 23.327 -0.460 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 2.680 -20.554 -11.168 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 -0.415 1.204 11.929 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 8.128 4.169 -0.016 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 5.981 7.918 12.878 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 7.162 -4.966 -1.370 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 11.570 10.000 -7.356 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 4.771 -5.630 -0.006 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 -3.287 0.867 -3.181 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 20.411 17.314 30.060 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 3.228 -8.318 -1.649 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 11.961 -1.401 -0.835 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 25.539 -5.002 -9.083 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 -30.408 -2.322 19.258 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 2.190 1.653 7.045 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 -1.277 -4.088 1.034 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 18.912 14.699 -10.429 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 -8.337 2.127 1.946 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 -7.366 -11.636 -7.735 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 -5.969 -7.984 19.720 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 0.578 1.776 0.726 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 -6.852 -5.404 -14.736 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 4.106 39.980 -39.081 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 -1.120 0.185 1.954 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 3.635 -1.802 -2.871 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 -22.795 -8.703 6.923 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 1.218 7.293 2.348 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 -0.581 14.083 16.215 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 -10.046 20.358 2.431 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 -1.513 -3.085 1.635 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 4.553 3.730 -1.026 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 8.555 29.027 -0.259 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 4.380 1.263 -7.904 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 -12.665 27.896 -1.775 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 3.464 -8.817 -9.838 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 -4.606 -1.142 4.781 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 -14.614 -7.868 -26.611 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 17.907 10.775 -12.801 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 -3.216 -2.549 -5.041 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 18.237 -1.598 30.380 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 4.031 1.579 -7.193 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 8.862 1.392 9.342 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 4.765 18.297 14.894 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 4.704 2.756 -15.510 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 9.224 4.385 2.110 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 -20.950 -2.788 13.820 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 -4.366 -6.054 9.704 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 -3.327 -7.297 3.704 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 1.764 -3.120 24.686 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 -8.092 8.817 16.579 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 -0.803 -7.751 -4.107 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 -5.995 20.162 -6.230 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 -6.579 6.533 8.294 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 0.067 -3.883 7.036 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 -0.036 -0.908 9.980 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 1.451 0.089 6.472 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 4.373 -4.956 -0.313 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 5.318 26.061 -13.345 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 -3.047 0.665 4.034 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 0.491 0.471 3.577 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 -30.408 -12.772 7.057 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 8.956 -0.777 -19.883 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 -1.776 0.209 -0.083 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 -19.430 -4.091 13.216 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 -17.642 -27.406 -2.918 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 -2.278 3.886 -10.632 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 -5.395 -1.316 -34.117 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 -2.999 12.573 16.401 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 -0.070 -4.465 -6.592 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 -25.047 -14.898 -29.707 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 20.566 3.788 12.134 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 -3.737 -2.692 1.777 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 -10.042 -17.448 -9.530 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 -3.767 6.923 15.504 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 -1.761 9.205 4.785 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 15.399 18.290 0.513 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 -3.437 -20.440 -31.156 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 -5.812 -3.154 1.487 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 -11.599 -1.180 -19.305 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 -15.930 9.857 13.433 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 0.026 2.730 -1.561 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 -0.890 22.354 -22.014 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 16.901 -10.528 25.762 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 -2.073 8.514 5.645 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 -8.882 14.990 4.678 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 8.476 0.840 9.531 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 3.349 -3.460 -7.551 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 1.480 -11.873 0.518 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 2.979 -6.808 -20.051 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 -4.048 5.011 -2.009 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 4.458 18.850 -1.106 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 -1.619 9.186 19.296 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 7.213 -3.361 -1.254 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 -0.080 6.993 2.686 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 0.228 -6.969 3.277 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 -1.200 -4.825 2.707 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 19.148 3.945 9.575 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 13.072 -14.312 -12.470 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 -4.337 3.390 2.827 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 15.583 2.225 4.761 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 23.399 -13.127 9.398 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 -4.225 6.078 -0.433 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 -7.562 7.731 5.564 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 -6.563 4.159 3.964 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 0.795 3.110 1.223 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 4.253 -8.893 5.829 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 10.055 -0.269 3.314 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 -5.268 -0.681 3.264 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 -6.361 -8.731 5.293 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 -19.110 0.880 3.748 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 -6.693 4.114 6.798 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 -0.893 0.902 1.543 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 7.128 3.460 -0.463 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 0.531 -3.178 1.414 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 11.250 -1.771 9.247 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 16.158 28.988 3.314 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 1.295 0.825 -1.401 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 -10.558 -1.091 1.343 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 -9.295 20.667 39.536 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 8.561 1.852 4.709 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 -5.433 13.857 14.322 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 6.465 -15.750 3.492 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 1.169 -9.739 5.299 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 -11.812 24.516 -2.041 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 8.079 -9.901 -8.914 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 2.532 -1.982 -3.683 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 4.030 -3.791 0.537 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 6.133 5.183 -14.497 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 2.103 -0.581 -9.226 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 -13.230 -6.049 -18.392 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 12.554 5.393 18.404 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 2.978 -0.945 0.075 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 -16.314 5.789 17.654 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 14.961 1.563 -8.717 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 -2.189 -1.517 -5.634 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 3.545 -18.498 -21.113 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 -22.177 -4.576 -4.031 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 -1.005 1.041 1.004 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 -12.078 13.626 -11.158 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 -0.536 6.336 21.535 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 1.186 -0.197 -3.314 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 -19.596 -15.697 -10.225 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 -11.155 22.758 23.633 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 2.132 -2.822 2.100 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 14.606 24.964 18.377 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 -4.033 -11.649 15.189 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 -1.318 -8.759 -2.855 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 7.892 -26.809 7.009 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 18.325 1.354 -24.102 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 -6.079 -0.221 0.574 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 -15.609 -9.330 9.698 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 -8.117 5.717 11.532 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 -2.195 7.607 0.476 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 0.074 15.602 -2.974 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 -10.338 8.167 4.096 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 0.535 -2.025 0.387 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 4.852 -1.218 1.964 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 15.213 -4.123 29.341 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 -3.198 3.937 2.668 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 4.343 9.446 8.696 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 40.708 -1.227 -16.893 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 2.561 -1.048 1.117 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 -2.475 14.791 -12.705 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 23.216 -0.221 -9.669 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 7.930 3.348 4.920 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 16.910 6.500 -2.032 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 8.797 -13.535 4.683 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 -2.777 4.468 -3.464 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 -9.733 -6.551 2.320 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 7.313 -1.107 -2.821 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 2.609 1.258 1.485 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 -12.092 -3.291 -9.239 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 -6.238 -5.694 3.890 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 0.314 2.015 -1.147 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 -4.689 3.206 -6.626 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 14.611 -3.268 6.423 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 4.613 -6.656 -4.023 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 -3.704 -4.903 12.498 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 -3.188 -2.992 10.265 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 0.164 2.562 -1.990 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 -7.842 -4.507 -7.848 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 9.549 -3.534 -2.217 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 -2.560 -2.689 -5.055 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 -15.134 -5.655 -19.664 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 10.877 -1.851 -1.229 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 0.564 0.083 3.769 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 -0.050 10.195 14.486 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 22.100 5.665 49.481 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 1.619 4.309 3.402 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 -8.225 -2.633 -9.260 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 8.146 -5.357 22.598 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 5.626 -0.298 8.528 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 -1.153 -1.532 13.650 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 26.895 2.944 -15.784 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 3.678 4.257 0.562 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 12.794 21.878 1.119 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 -12.399 -2.273 -7.080 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 2.052 1.635 0.977 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 -18.104 -18.266 -15.810 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 -7.146 -3.600 6.163 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 -4.924 -4.708 1.169 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 -13.907 -19.163 -2.275 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 -13.125 -12.994 -1.613 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 -5.198 3.213 1.899 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 -6.122 -2.865 7.404 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 -8.003 -4.305 -5.118 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 1.051 -6.999 -5.857 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 -24.880 18.395 -18.520 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 36.018 8.580 -26.083 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 -2.668 4.706 5.001 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 0.982 3.416 12.976 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 34.921 16.755 -7.889 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 -1.920 -3.205 7.154 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 -24.544 1.808 26.851 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 5.041 -3.881 1.280 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 -5.350 -2.021 -3.628 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 -16.850 2.431 -7.187 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 -11.751 -1.451 2.313 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 1.344 8.337 -2.513 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 12.506 2.342 -7.199 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 -13.539 -3.781 -2.571 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 -3.724 -2.675 0.146 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 -4.089 -11.613 -19.507 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 -16.172 -6.893 -1.282 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 1.252 4.246 0.617 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 0.016 10.515 0.712 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 4.483 6.624 21.036 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 -1.664 -7.907 -3.938 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 -5.440 -4.637 -6.459 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 -5.797 -13.634 -3.030 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 -2.911 2.815 0.624 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 8.436 19.598 15.610 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 4.145 7.453 -27.054 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 2.108 4.236 -0.070 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 18.520 3.934 25.167 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 14.538 -25.225 -17.540 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 1.813 0.207 -4.818 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 -5.402 22.286 -30.193 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 -4.083 11.403 -14.054 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 3.806 -3.641 -5.473 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 10.916 -9.244 -4.729 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 -10.819 -3.486 14.872 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 -2.524 3.678 -1.875 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 0.757 1.030 8.016 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 -5.707 2.304 -12.364 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 -4.334 2.199 -5.848 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 -0.330 5.149 -5.035 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 -7.528 -13.544 -18.002 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 -1.315 -5.097 -2.269 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 -12.673 -9.206 -10.492 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 33.774 1.551 7.638 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 -6.738 -9.819 1.531 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 -1.149 -0.816 2.150 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 9.035 -3.828 3.990 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 8.236 -5.084 -5.060 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 10.530 -8.788 -6.111 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 5.600 5.808 10.498 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 -0.038 1.096 -7.202 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 -3.793 -8.102 -18.796 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 13.636 -12.317 -10.447 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 2.023 -1.532 -5.950 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 -9.750 -0.512 3.723 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 16.825 19.560 18.223 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 3.071 2.920 -1.670 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 -7.742 -21.458 9.856 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 18.353 6.150 -9.145 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 -1.007 -3.961 -1.852 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 7.386 -8.991 6.075 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 -1.287 -3.905 15.086 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 6.572 -12.680 -0.520 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 0.843 -1.328 -16.911 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 25.877 -14.625 4.989 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 5.702 -8.455 -2.529 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 -0.907 10.293 2.110 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 -0.536 -10.768 -23.035 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 -1.350 4.554 -2.302 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 -3.190 8.002 -2.138 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 -4.725 13.746 -0.120 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 0.757 -6.095 -3.519 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 0.298 -20.775 -11.888 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 -14.870 -0.349 3.236 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 1.944 -1.515 -1.446 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 -12.441 14.493 -7.167 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 -7.550 4.507 -2.152 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 -3.632 -1.946 0.406 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 9.160 2.935 14.079 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 28.179 8.915 -12.901 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 3.145 -3.842 3.599 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 0.025 -2.879 -3.330 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 -1.279 -1.494 0.905 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 -2.172 0.431 1.873 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 23.427 5.663 -7.199 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 -16.362 -10.332 -5.298 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 3.800 5.065 5.070 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 21.340 -7.912 10.901 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 1.344 -1.437 -10.912 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 -12.400 5.413 -0.132 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 11.146 14.308 9.619 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 -18.665 36.566 -0.640 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 -2.945 1.039 0.190 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 -1.155 8.438 -3.950 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 -8.997 -16.214 12.407 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 -6.648 1.123 -3.403 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 -9.387 12.763 5.864 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 -8.015 -8.070 0.952 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 -4.420 0.363 -0.966 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 -14.762 7.327 3.728 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 -10.682 -7.012 -9.159 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 0.616 5.856 1.839 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 -10.080 -4.996 12.331 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 -18.308 -5.209 1.195 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 -2.160 1.307 1.079 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 -8.837 8.435 5.261 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 2.611 1.706 -0.713 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 1.302 5.254 -3.506 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 5.071 -1.415 6.782 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 2.899 16.789 -8.430 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 -1.082 0.692 7.823 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 -12.609 -3.558 -10.346 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 -14.793 11.055 19.033 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 3.115 -5.857 7.480 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 4.096 -3.358 -17.829 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 -4.088 -4.851 -6.379 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 6.582 -4.271 -3.435 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 -6.130 6.583 -2.400 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 7.221 -9.910 6.953 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 0.272 -3.837 2.241 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 -25.450 10.298 16.045 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 -17.327 6.473 6.501 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 -4.505 1.231 4.642 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 -4.883 -14.017 -1.603 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 -12.909 1.521 19.628 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 -2.933 4.654 -6.633 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 -10.652 11.579 -5.255 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 -4.668 5.204 20.349 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 2.664 -4.479 2.365 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 7.649 -2.215 -17.714 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 5.454 -25.116 6.072 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 5.954 -3.212 0.711 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 -11.848 16.127 -17.509 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 -0.218 -30.174 4.920 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 7.564 2.019 1.439 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 29.305 24.352 -2.419 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 -12.407 -18.531 4.650 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 -1.941 0.177 5.704 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 -29.646 -2.550 29.464 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 18.622 -0.403 -9.790 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 -4.158 1.854 0.588 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 15.102 -0.748 19.086 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 -6.458 -12.073 -8.364 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 -5.208 2.620 4.444 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 -10.963 4.428 -2.388 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 -4.463 -4.688 6.679 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 -3.931 4.097 -6.277 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 -15.619 4.072 7.730 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 0.971 -14.007 9.781 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 -0.017 3.927 1.215 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 -7.601 -5.348 8.820 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 -0.241 2.459 2.098 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 9.647 -2.435 6.355 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 3.418 16.409 -1.953 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 0.693 -11.466 -3.688 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 -0.547 -1.362 -3.241 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 -2.558 4.647 -21.393 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 0.802 7.206 -3.651 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 4.372 6.368 -4.582 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 -5.172 -26.437 -11.145 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 2.433 -14.331 8.717 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 0.044 1.563 -6.378 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 2.020 -21.727 17.592 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 12.601 20.165 -3.030 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 4.718 4.066 1.052 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 -7.268 10.416 11.626 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 -23.053 0.370 11.716 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 2.010 -4.508 -1.024 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 10.180 7.502 6.592 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 1.752 -6.246 -7.828 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 -3.168 5.934 2.223 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 -7.662 11.090 5.189 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 4.071 -3.333 1.803 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 -3.515 -0.583 -2.643 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 2.122 -1.110 5.555 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 -13.462 -7.121 -8.179 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 7.382 2.137 4.567 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 5.209 -0.600 -2.199 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 1.721 4.427 10.333 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 2.250 -3.391 6.006 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 -1.235 -15.794 20.770 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 10.219 -12.791 -13.594 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 -3.206 -9.783 -6.225 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 -27.261 -3.721 12.191 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 -24.897 14.196 1.206 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 5.313 -4.569 -5.340 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 1.711 7.897 -2.648 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 13.608 7.182 -24.411 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 -3.044 9.418 -3.483 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 -1.955 9.359 -4.231 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 5.177 6.259 8.332 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 3.704 1.625 -2.548 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 15.444 19.917 14.925 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 16.175 11.921 -16.481 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 -1.465 0.376 -1.875 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 -13.671 7.197 -3.480 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 -0.789 -1.233 1.958 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 -0.361 -3.196 4.969 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 4.302 7.771 12.838 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 2.901 11.138 37.203 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 -4.249 -1.066 0.726 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 -7.651 -1.100 16.328 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 2.928 5.959 -1.981 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 -3.189 -6.044 0.011 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 -9.000 -1.666 -8.519 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 -1.647 -10.711 -0.595 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 1.117 8.744 1.088 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 6.991 -1.153 -2.310 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 -12.022 4.779 4.081 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 -0.132 -5.592 3.636 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 -3.875 3.368 11.411 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 4.375 -14.416 -10.639 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 0.914 -2.727 -0.273 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 -27.181 2.172 11.849 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 6.361 -13.445 -0.731 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 1.931 5.906 -1.590 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 10.233 7.174 2.028 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 6.396 4.432 1.105 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 -6.646 3.031 5.371 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 -24.476 -15.350 0.885 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 -22.096 9.714 -15.349 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 -0.662 -3.143 1.997 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 11.379 -17.686 -2.771 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 4.295 11.739 -9.176 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 -7.127 3.498 -3.635 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 -3.670 3.014 -23.017 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 0.876 -1.111 -13.311 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 -7.815 -1.435 -3.378 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 -29.846 3.095 -15.056 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 -2.477 -6.290 2.819 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 1.079 -2.733 0.419 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 6.148 -9.461 5.711 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 -5.336 3.283 11.658 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 -3.765 -0.253 -0.885 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 10.323 -9.020 3.750 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 -21.916 -7.719 -5.468 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 -2.546 -1.213 -2.174 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 -8.006 -18.886 5.543 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 23.806 8.152 -10.173 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 2.977 3.632 -5.589 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 -1.579 15.273 -10.508 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 0.425 3.044 -5.760 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 3.152 1.310 -0.634 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 -3.883 16.300 13.736 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 4.527 0.360 -11.362 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 2.406 2.807 -0.825 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 -0.677 -0.472 -4.394 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 -2.103 7.466 -3.265 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 4.041 -0.895 -0.671 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 14.939 17.793 3.948 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 9.186 5.191 -0.567 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 -5.750 -2.318 4.850 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 0.787 -6.746 -29.324 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 11.008 9.857 7.569 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 0.345 2.969 -3.469 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 -6.460 5.858 10.431 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 6.087 10.764 0.539 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 1.902 1.758 -2.644 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 6.797 11.118 7.289 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 4.625 4.331 4.514 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 0.056 0.442 -5.561 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 -6.641 -4.813 5.626 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 -4.605 8.656 7.032 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 0.788 7.006 6.785 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 -9.927 -2.167 22.195 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 5.474 27.042 14.377 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 -4.471 -1.941 -0.849 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 7.677 -9.051 9.114 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 -20.935 -20.771 -22.267 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 0.514 0.374 -3.803 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 1.226 -2.743 -3.451 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 -0.057 -4.563 -3.934 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 -3.982 -1.023 -4.743 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 -3.156 -14.371 9.893 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 -1.831 -14.556 8.590 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 1.763 4.735 -1.695 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 -7.138 -24.864 16.104 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 -1.688 -2.239 4.832 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 2.117 -3.145 0.980 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 5.855 6.115 -7.576 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 -5.124 -10.531 5.281 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 5.648 0.619 -4.638 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 -7.145 7.655 -17.682 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 10.198 8.299 10.430 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 0.600 2.720 2.319 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 -16.830 25.129 4.619 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 -16.743 22.688 0.138 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 6.265 -4.062 -3.909 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 27.128 7.350 21.654 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 9.442 -2.975 -14.206 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 0.478 -1.128 1.447 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 -6.399 -6.071 -2.148 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 -16.335 -5.657 -3.156 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 8.256 -6.412 1.532 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 4.010 -9.526 3.827 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 14.024 -15.437 3.977 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 1.773 1.198 0.730 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 -9.450 -15.778 -19.200 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 -8.212 17.250 -2.821 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 -0.243 -3.978 2.690 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 36.528 -28.023 2.606 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 5.563 27.350 -19.301 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 0.769 0.647 -3.235 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 4.236 10.867 -23.647 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 -1.606 -8.720 24.885 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 -0.940 1.219 -1.702 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 -7.972 -11.879 -14.824 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 -30.453 19.092 15.285 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 -1.472 -1.008 0.193 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 7.667 3.594 1.861 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 -14.811 -11.160 4.116 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 -0.153 3.686 2.821 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 -0.982 3.519 -4.480 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 -1.092 3.060 -5.695 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 -3.597 -2.157 4.161 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 -7.870 -9.934 -3.792 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 -16.521 -24.304 -4.682 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 -1.257 -2.987 -5.112 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 -4.412 13.701 9.421 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 -2.523 8.784 -4.429 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 -1.251 -5.509 3.463 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 -1.457 -6.758 6.627 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 24.501 -4.010 -3.348 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 -0.558 -8.654 13.155 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 -1.619 -20.007 3.698 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 -5.065 -0.620 7.934 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 -2.840 3.375 3.624 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 -1.073 1.944 -2.459 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 1.694 -4.931 -0.060 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 1.653 -0.646 0.816 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 -16.741 -4.534 -15.000 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 19.056 15.268 9.667 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 -3.456 -2.885 -0.052 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 -0.210 -25.973 1.287 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 -14.425 -19.046 -17.321 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 8.579 4.567 3.182 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 12.158 -17.260 -3.972 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 0.439 1.670 4.980 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 -4.337 1.975 -5.205 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 6.943 7.631 -7.754 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 -5.697 11.435 4.910 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 4.529 3.606 3.093 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 -5.039 -2.155 15.728 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 15.018 9.876 -18.335 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 0.797 0.155 5.378 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 -1.386 -16.707 -4.580 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 -8.181 5.072 11.114 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 -1.907 4.056 0.793 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 -1.809 9.944 -2.374 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 2.555 9.698 -4.710 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 0.554 3.424 -7.140 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 7.640 -8.576 -18.234 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 -13.335 -4.882 -10.411 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 -0.910 5.501 2.293 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 31.009 26.884 9.397 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 2.049 1.792 -2.785 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 -3.071 -4.848 1.713 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 -6.342 -3.393 -7.165 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 6.737 -11.388 -1.268 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 1.081 3.745 -1.424 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 -4.704 14.545 -14.723 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 -8.211 -21.626 16.294 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 -2.140 -2.639 -1.369 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 -21.292 4.343 -5.662 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 -36.930 11.206 -2.280 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 -4.997 3.308 3.564 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 -10.660 -22.789 -7.038 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 -4.172 -6.108 -8.237 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 6.065 4.105 -4.165 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 9.348 -0.351 2.810 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 2.292 -4.817 24.475 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 2.648 -0.082 4.532 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 21.969 -0.190 20.434 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 -4.581 -17.735 4.405 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 -5.489 4.871 2.850 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 -2.729 6.686 -0.626 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 -0.062 11.771 -10.011 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 -1.274 5.236 2.147 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 -4.673 6.380 -15.892 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 -7.061 -20.920 2.118 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 -0.565 1.766 1.253 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 15.918 4.576 9.279 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 16.175 -13.037 8.309 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 -2.184 6.652 -0.907 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 -0.072 -3.649 -3.339 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 6.892 12.606 -3.261 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 4.644 5.680 -0.245 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 4.835 5.721 -3.067 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 19.477 -5.792 -1.313 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 1.055 2.068 -3.491 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 1.156 -1.496 1.484 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 -1.059 -13.209 -14.302 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 1.274 1.476 -8.119 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 8.168 0.724 -7.237 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 -28.552 30.437 7.357 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 -3.691 -6.069 0.392 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 -8.673 10.250 -5.599 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 -6.473 -7.385 2.623 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 1.846 -2.904 -0.199 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 4.338 -12.530 -13.505 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 11.841 6.582 15.498 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 4.621 6.341 -3.241 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 25.677 8.334 -6.046 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 -1.265 3.823 -1.370 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 -1.896 1.701 -1.310 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 -9.522 6.794 4.802 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 22.615 -26.440 -22.682 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 4.409 -0.385 11.827 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 -3.392 -18.975 8.469 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 -1.704 -7.314 48.222 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 -2.935 -0.160 0.669 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 -1.268 7.469 -16.888 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 -6.175 -18.585 50.041 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 3.226 0.700 -0.847 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 -13.480 4.735 9.085 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 4.045 -12.645 10.036 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 5.385 -0.070 8.811 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 -15.551 18.447 10.104 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 -40.653 1.125 3.306 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 3.537 2.910 5.305 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 -0.768 22.234 0.238 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 -25.687 15.960 7.048 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 0.609 -8.374 1.019 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 -4.072 -7.252 10.149 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 -12.357 0.832 12.869 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 -5.313 -4.390 1.933 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 -5.979 -17.916 -23.179 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 -13.545 -17.350 13.892 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 0.819 5.372 -7.391 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 28.719 -16.923 -15.107 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 4.468 19.532 13.636 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 1.621 -2.902 -4.147 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 4.971 -10.701 -4.022 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 -7.630 3.236 -1.823 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 3.734 3.749 -0.561 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 -1.679 1.426 -2.962 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 2.096 6.622 -8.383 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 -1.838 7.078 -3.593 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 8.260 1.630 -8.846 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 25.809 3.604 -26.575 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 -3.036 3.545 2.537 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 -1.603 -3.466 9.075 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 -1.106 3.818 5.292 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 0.867 4.911 -3.975 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 16.616 5.214 14.787 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 -3.352 -12.138 -4.759 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 -4.057 -0.768 -8.552 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 -8.553 -21.973 43.260 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 -13.709 20.163 -5.421 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 -2.077 -1.179 -8.277 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 -6.358 -7.900 4.398 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 7.266 -0.726 0.925 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 -4.424 -5.428 -1.113 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 -16.290 3.731 -9.644 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 21.000 1.014 -11.976 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 1.327 -0.494 -1.544 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 22.843 -11.323 -15.777 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 11.223 9.103 21.528 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 -1.182 -1.528 -3.897 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 14.495 8.929 6.053 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 -8.506 9.703 11.723 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 -4.692 -0.504 1.490 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 8.514 -8.631 -6.516 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 14.114 0.157 -13.702 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 2.794 1.952 2.413 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 -17.339 8.786 24.493 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 24.421 -15.228 -23.037 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 2.616 -4.509 -2.780 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 -0.293 -7.222 5.536 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 9.281 0.841 -8.557 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 -1.723 2.014 1.985 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 -5.331 1.989 -0.825 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 1.490 12.846 -1.064 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 4.530 -2.508 4.489 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 10.279 6.699 -8.051 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 -11.779 0.272 3.625 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 0.285 -8.568 5.841 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 27.312 -8.329 5.053 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 57.956 10.861 -14.668 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 4.566 -1.835 -1.130 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 -18.566 -2.194 2.791 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 -0.762 -3.131 -2.423 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 -2.452 -7.414 -4.550 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 15.623 -2.629 -14.436 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 18.579 -2.652 0.116 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 -0.821 -0.121 -0.660 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 -26.949 -17.594 0.402 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 -16.969 12.150 -1.977 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 -2.003 -3.124 -0.094 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 -24.313 4.120 -5.717 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 -20.652 0.739 -23.739 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 7.554 -4.138 9.635 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 7.851 -11.815 14.143 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 5.131 -9.509 9.534 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 -4.427 1.545 -1.892 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 9.617 -26.982 -6.271 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 -34.727 -2.693 -5.283 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 -4.586 -1.422 5.598 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 -11.115 -20.937 -5.292 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 4.576 -3.755 -10.798 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 -4.842 6.052 -2.484 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 34.261 4.783 -18.832 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 -18.884 45.257 -10.521 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 0.849 0.886 -1.972 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 -1.207 1.479 -4.625 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 -32.190 9.838 -21.009 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 -1.089 3.313 2.519 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 0.705 7.668 2.997 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 -4.413 4.963 -0.017 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 -0.281 2.687 -5.996 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 4.143 16.205 -10.805 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 11.461 0.345 2.448 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 -5.126 2.258 -4.208 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 2.256 0.093 -22.308 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 -7.980 -0.998 8.997 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 -2.247 -1.595 -5.371 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 -8.891 -13.423 -5.343 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 9.762 -1.494 -0.181 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 -0.178 -3.995 -3.873 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 -8.364 -14.301 -10.567 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 -0.230 -3.512 -4.308 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 0.328 0.390 1.332 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 2.825 1.849 21.222 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 0.172 19.161 -5.250 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 -1.241 0.683 -2.784 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 -0.400 0.193 12.010 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 7.496 -6.202 14.728 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 -3.919 2.874 -3.206 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 3.320 11.887 -9.498 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 -12.512 -11.436 0.516 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 -2.324 0.579 -3.094 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 0.089 1.605 -0.390 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 -26.347 -5.125 4.163 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 4.449 1.755 -1.616 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 -6.156 10.508 -4.397 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 29.079 -25.565 19.468 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 4.786 -1.220 0.850 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 13.484 4.242 -2.452 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 3.498 -8.338 -5.936 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 5.412 -4.117 -0.315 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 4.682 -10.101 -10.054 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 -2.553 -13.818 -6.657 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 7.960 4.728 -0.841 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 -15.913 5.736 11.819 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 -0.035 6.270 -29.973 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 4.548 1.387 -0.910 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 11.566 -0.309 -1.802 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 -0.942 2.927 -0.238 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 -1.753 -1.703 -1.061 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 5.366 2.436 13.671 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 -4.265 5.062 -16.624 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 -5.572 5.782 8.069 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 11.041 7.435 -2.882 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 4.815 5.248 7.281 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 -4.735 1.408 -1.651 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 10.988 15.446 29.480 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 -16.617 15.114 -5.331 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 -0.195 0.873 -3.083 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 4.110 -10.516 7.855 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 9.321 3.220 -9.033 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 0.704 1.683 2.286 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 4.539 -13.053 -11.664 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 24.468 -8.594 3.053 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 -5.912 3.466 4.596 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 0.817 -4.049 8.177 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 -17.244 -9.065 10.124 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 6.499 0.626 3.745 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 -7.803 2.944 -8.744 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 -11.436 9.542 -7.987 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 7.369 4.068 5.976 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 13.439 -12.550 -8.465 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 0.897 8.680 24.837 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 -1.533 -3.419 6.774 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 -4.145 -9.208 29.691 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 10.678 17.363 6.418 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 0.751 2.367 -0.039 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 -2.134 -14.062 -13.430 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 1.869 -0.603 -2.134 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 -4.310 8.071 -4.345 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 8.584 20.181 -33.444 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 -0.535 2.592 4.970 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 2.687 0.100 -3.972 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 -18.151 -13.935 -16.858 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 -5.234 1.905 -19.218 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 3.236 4.231 -6.980 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 -8.651 30.327 -20.087 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 -3.643 19.952 -14.316 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 5.000 7.982 9.648 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 5.003 -3.387 19.953 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 -10.989 14.300 -8.828 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 -2.483 -10.331 2.397 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 3.695 -10.483 23.219 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 -10.242 -8.147 -18.383 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 3.391 -1.020 1.135 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 -1.312 -7.483 5.449 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 2.686 -0.061 2.264 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 0.813 -2.444 -6.350 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 -1.669 5.755 -33.159 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 -5.406 -21.203 16.232 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 1.476 -6.090 3.466 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 13.112 -15.992 -2.718 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 -10.277 4.437 9.101 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 4.573 8.737 -0.751 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 5.924 9.268 0.289 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 6.990 8.506 -1.780 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 -3.059 -3.812 -3.152 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 -3.141 -10.414 6.512 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 -5.352 3.521 -10.638 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 2.262 -4.718 3.808 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 8.576 7.618 -8.265 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 -5.904 -13.755 1.953 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 -4.923 4.447 -3.167 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 3.750 -1.758 6.246 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 -9.399 -5.179 -14.339 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 4.043 2.657 -0.681 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 3.716 -14.563 2.794 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 2.579 1.460 -20.033 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 4.046 0.837 4.059 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 -2.937 -5.511 1.547 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 9.129 2.087 -4.383 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 1.157 3.238 -2.485 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 -15.826 -1.799 15.834 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 14.339 14.849 -14.429 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 4.330 -4.830 -4.226 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 2.795 0.628 -2.903 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 1.736 -3.938 -1.415 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 -4.273 2.463 -0.210 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 -6.898 -3.444 4.057 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 26.679 7.143 -9.336 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 -3.146 1.947 1.564 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 13.242 2.362 -21.639 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 -0.970 -14.422 15.772 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 -0.237 -5.454 4.257 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 16.888 -18.099 -9.197 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 -7.015 -0.341 9.878 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 0.725 4.309 -2.125 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 24.546 -3.941 9.380 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 -12.177 -17.463 -7.268 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 -0.005 -6.774 4.743 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 3.753 3.123 -14.857 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 20.130 -9.936 12.961 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 -2.884 -3.409 4.865 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 8.537 -23.453 18.289 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 -9.566 -4.048 11.715 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 1.540 9.185 2.198 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 -18.271 -12.707 6.837 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 12.902 -4.032 -3.100 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 -0.294 -3.089 1.049 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 -6.877 -0.015 -7.206 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 6.055 4.825 2.594 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 0.605 -2.913 3.953 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 7.262 -10.711 21.241 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 -4.909 2.842 -9.755 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 -2.609 11.925 0.680 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 0.809 -5.235 -4.002 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 -29.082 -8.451 -11.520 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 -1.387 2.386 -5.171 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 11.681 0.860 -5.241 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 14.338 15.624 8.023 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 5.157 -4.394 4.665 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 4.793 -3.018 4.448 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 3.473 6.080 -9.155 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 3.271 5.984 0.327 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 -12.044 -17.493 -12.320 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 -12.930 -19.396 -13.852 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 -3.465 -7.504 -2.694 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 -14.364 3.295 -10.069 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 -0.889 -15.487 8.447 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 0.344 -0.211 2.336 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 -1.303 9.204 2.772 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 5.168 7.279 9.883 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 -1.459 0.728 -0.182 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 16.281 16.661 -19.277 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 -8.060 -15.476 22.995 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 0.242 6.786 -5.273 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 -2.134 13.289 -13.735 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 -10.209 21.335 -6.545 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 -6.820 -1.120 6.730 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 -10.980 7.743 3.392 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 -3.877 5.081 -2.226 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 -6.965 -2.830 -8.201 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 -3.600 -7.514 -6.194 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 -10.849 -5.497 -17.951 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 3.050 -0.561 3.359 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 -6.799 1.925 -8.386 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 6.339 -11.157 -4.054 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 -0.850 -2.779 3.152 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 8.724 -5.999 -2.665 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 -2.357 -4.874 17.035 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 -0.172 -3.666 3.810 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 7.043 -16.910 10.631 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 -3.375 11.691 -10.413 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 -4.788 -5.790 0.394 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 -3.799 -4.328 -18.828 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 -11.864 19.712 -14.323 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 7.193 1.698 -10.030 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 3.386 -3.407 -3.484 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 0.272 7.504 -17.339 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 -3.633 -1.161 -1.272 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 -12.027 -10.577 6.929 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 9.525 6.605 4.856 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 1.854 0.039 -1.079 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 6.442 -1.599 1.978 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 -0.826 3.695 2.009 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 -3.584 3.308 -2.282 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 -0.464 1.212 -1.452 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 -4.375 2.657 -0.309 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 -9.588 3.911 -7.330 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 8.543 3.426 18.477 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 -10.420 -7.279 -12.562 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 0.169 -1.641 2.660 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 13.192 -15.113 -15.377 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 -18.602 -11.108 -1.170 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 4.813 -2.465 7.891 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 16.565 7.283 3.960 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 11.558 -1.000 13.334 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 3.414 5.548 -5.669 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 -3.125 1.601 -6.699 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 -17.012 6.790 -4.261 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 2.240 -4.640 2.833 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 2.145 -14.867 1.835 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 2.140 -29.955 -2.035 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 -1.609 -0.250 1.112 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 -4.348 -12.992 -2.866 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 -2.317 13.728 -1.185 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 3.312 8.705 3.322 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 -9.457 -13.666 -11.052 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 3.640 4.443 0.005 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 0.736 3.640 -3.367 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 1.352 7.863 5.157 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 0.342 2.386 -5.523 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 -1.914 0.051 3.892 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 11.742 1.784 -12.230 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 -20.535 -1.672 12.280 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 -6.194 1.626 4.433 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 -10.587 -7.561 -0.054 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 1.414 -5.907 16.706 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 -2.370 -1.352 1.323 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 2.466 -28.214 -8.623 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 -1.925 -11.056 7.536 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 5.905 0.489 3.141 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 4.945 5.893 14.062 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 -25.053 -19.963 5.381 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 -9.751 -1.445 3.933 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 26.030 -0.264 3.827 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 2.482 -9.909 14.968 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 3.531 -2.229 -1.190 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 -20.704 1.283 14.258 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 3.736 -2.107 -5.435 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 1.797 -2.323 10.142 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 -8.435 7.663 -4.546 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 -14.138 4.200 7.087 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 -0.136 -2.842 -0.851 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 -17.222 16.034 19.171 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 -10.141 -11.455 -9.069 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 -5.836 -2.359 -7.471 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 12.273 -4.461 -20.934 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 2.299 -6.174 -12.541 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 9.267 -0.704 0.586 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 40.712 -5.832 -30.618 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 -14.437 12.751 15.557 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 3.628 2.367 -1.972 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 -1.517 12.028 -5.416 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 10.906 5.722 4.836 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 -0.683 1.922 -0.896 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 4.576 -18.887 1.902 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 19.787 -27.485 0.760 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 -1.272 2.646 1.087 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 -3.398 -7.866 13.631 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 -2.065 12.821 -19.332 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 1.615 11.488 0.406 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 -12.479 -1.301 2.380 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 9.971 14.814 -19.637 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 5.179 2.060 3.940 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 4.328 5.715 9.556 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 0.604 -5.751 -21.129 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 -2.884 10.153 2.439 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 -6.971 10.243 -4.265 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 -2.879 19.135 6.485 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 0.854 4.071 -4.797 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 19.972 20.141 -9.637 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 14.212 14.521 -10.880 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 4.652 5.586 -3.325 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 -5.091 -2.303 4.182 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 -12.440 -17.691 -31.653 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 -0.524 -2.273 3.454 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 0.736 -27.838 -16.569 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 -3.819 -5.277 -3.516 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 4.029 -11.765 -2.327 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 -0.544 -16.662 -7.735 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 0.943 -13.201 -1.798 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 3.175 9.102 -1.769 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 -0.749 -5.921 -3.097 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 7.320 -3.119 18.147 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 5.273 5.934 -1.550 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 2.709 12.815 7.957 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 -0.664 -35.321 -18.587 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 -0.626 -0.635 -5.339 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 -14.738 0.642 -3.304 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 18.989 -13.095 -15.016 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 0.945 0.709 -0.065 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 -18.185 4.809 -15.770 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 -10.596 -12.824 -25.278 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 -5.343 3.782 2.754 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 9.118 30.342 8.853 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 -3.398 2.500 3.238 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 4.876 2.736 3.463 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 -2.280 3.416 15.325 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 -2.029 7.589 -8.479 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 -3.133 -3.667 -9.042 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 -22.210 4.115 -6.205 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 -8.017 5.950 -6.745 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 0.257 1.792 0.939 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 -7.374 26.476 10.888 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 27.000 -9.742 5.264 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 5.752 2.961 -4.636 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 18.429 -0.867 -4.221 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 -0.170 -5.980 -1.499 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 0.849 2.171 4.613 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 -12.211 6.701 -5.885 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 -7.038 2.619 9.025 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 -2.893 4.070 -0.829 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 16.923 -4.192 -21.186 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 -13.638 28.714 1.417 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 -0.245 4.897 3.965 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 -7.104 -10.937 3.701 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 12.959 -10.983 15.701 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 -6.512 0.384 -3.069 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 3.995 12.407 22.919 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 -3.454 12.073 11.114 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 3.749 -4.300 2.369 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 -1.498 -3.416 -1.643 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 1.203 -6.056 -6.324 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 -0.413 -0.512 0.745 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 -1.672 -5.487 -7.986 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 2.965 -3.639 -8.409 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 1.913 5.489 -0.071 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 5.555 -14.061 -14.330 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 -8.237 -5.557 29.035 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 -0.349 -2.510 3.514 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 6.486 24.406 -19.190 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 -20.640 -20.188 -2.919 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 -3.748 1.597 2.194 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 -8.157 11.129 9.508 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 -17.772 -20.888 -5.531 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 1.994 -5.506 2.861 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 7.326 -11.822 -1.206 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 -3.160 -14.048 -12.497 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 -1.588 -0.024 -5.519 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 6.185 -4.745 -9.700 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 0.967 9.744 -4.411 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 0.307 -2.556 -5.162 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 18.316 4.954 -2.510 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 -14.096 3.727 12.108 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 -0.194 2.318 -0.124 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 -2.687 -9.648 -1.855 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 -0.249 1.655 -0.648 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 -0.814 -2.482 -0.104 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 -17.668 14.187 6.226 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 1.417 -3.511 -0.513 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 -4.421 5.234 -3.688 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 22.388 -14.511 -10.476 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 8.882 -16.776 11.521 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 -6.952 -4.887 -5.011 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 8.553 -2.186 -19.437 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 2.517 -5.597 -10.844 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 0.489 1.793 1.260 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 -9.599 15.007 -9.484 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 -7.464 23.789 -19.311 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 2.478 -1.602 2.894 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 -14.138 -8.154 26.719 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 20.609 0.341 11.391 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 12.049 0.215 8.460 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 27.376 24.545 11.215 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 0.155 -0.786 3.279 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 0.406 3.435 -0.952 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 -17.595 -2.989 6.085 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 6.961 15.189 13.154 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 -4.954 4.935 2.433 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 -0.960 -4.982 2.736 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 -8.744 13.474 -0.371 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 4.554 -4.885 -6.095 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 -9.128 -21.632 10.766 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 12.359 0.809 -6.914 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 4.941 -3.084 -0.688 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 7.438 -8.618 -2.893 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 3.767 -10.873 -12.773 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 -2.621 1.611 -4.553 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 -9.471 1.145 -5.185 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 17.582 1.471 -21.900 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 -0.781 3.988 -1.349 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 6.067 6.962 9.989 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 -2.186 13.865 -0.888 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 3.801 -0.948 0.009 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 3.999 -1.347 7.167 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 -10.331 -4.716 -4.961 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 5.783 3.779 2.787 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 10.007 6.366 -11.777 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 -0.524 3.812 2.952 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 1.661 -3.881 -0.921 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 0.339 -3.460 0.636 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 6.865 -1.712 -12.522 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 -2.004 2.947 -3.517 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 -7.900 24.530 -4.047 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 5.410 -13.986 -1.226 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 -2.463 -2.026 -5.751 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 -4.859 -22.333 1.696 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 -16.780 7.114 7.441 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 2.400 4.446 -0.912 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 -1.738 -1.765 -7.289 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 11.213 -11.480 6.755 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 9.483 -3.248 4.087 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 -22.020 -6.625 12.211 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 -8.686 -17.612 22.711 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 -8.524 -9.133 -0.037 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 -9.960 -11.435 4.529 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 -3.645 -3.130 -25.892 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 6.536 -1.796 1.366 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 24.725 13.369 -2.789 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 -1.929 -13.437 0.794 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 2.530 -3.400 -2.610 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 8.061 10.106 -22.457 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 -9.227 9.067 17.746 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 0.609 1.059 5.295 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 1.281 9.260 -6.904 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 11.694 14.690 -35.596 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 2.206 2.486 3.545 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 -21.387 19.581 6.990 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 -9.044 -22.862 1.985 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 3.776 10.270 3.516 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 -1.617 -18.266 -5.572 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 7.141 13.307 6.275 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 -1.022 5.382 1.612 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 1.185 -4.154 -2.201 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 -21.179 24.023 6.085 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 -3.045 2.007 -1.369 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 3.371 6.189 12.212 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 -6.196 -3.249 -14.196 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 -1.287 4.435 5.976 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 3.672 2.705 -9.145 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 1.210 -1.770 7.895 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 2.056 -6.676 3.425 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 -29.674 -0.195 -57.329 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 16.583 18.785 -11.571 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 -4.065 2.726 2.546 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 -3.325 14.368 13.808 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 3.481 17.206 20.087 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 -5.182 8.959 1.028 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 0.270 30.515 -10.638 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 6.030 -25.277 -28.898 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 -3.565 -4.148 -3.031 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 -8.220 16.498 -0.719 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 -10.754 22.460 -30.556 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 -4.985 -0.251 -1.224 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 -3.702 3.221 3.934 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 7.173 5.564 -22.067 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 1.853 6.708 -3.751 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 1.781 13.717 2.794 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 0.800 37.572 -1.741 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 -3.809 4.948 -5.766 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 10.300 1.164 6.499 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 -7.058 5.597 -22.418 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 -1.892 -1.458 -7.925 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 -5.571 -3.255 -19.853 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 -4.985 10.843 -5.238 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 12.854 1.043 3.626 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 2.802 12.696 -6.772 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 -2.801 3.995 19.045 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 -5.565 2.706 -1.876 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 1.509 2.036 2.364 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 -8.033 -7.210 0.367 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 0.708 3.890 -1.337 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 10.274 8.117 7.370 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 17.982 12.277 8.131 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 -7.166 -3.546 -1.655 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 -4.480 4.656 -0.391 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 -8.389 -10.800 -2.507 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 -0.508 1.030 -0.215 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 2.000 0.098 -7.610 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 5.955 -33.117 3.817 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 -3.935 4.068 0.560 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 2.100 21.826 -9.575 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 0.674 6.281 1.712 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 -3.366 -0.491 4.073 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 9.749 4.567 -1.246 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 3.555 -14.993 14.238 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 0.805 6.594 3.609 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 9.945 -5.710 29.178 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 2.608 6.655 4.178 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 -4.883 -1.128 -3.026 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 -5.362 -3.549 0.257 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 7.281 12.554 -20.479 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 -1.357 -3.495 2.352 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 -7.833 -23.964 1.702 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 5.199 8.298 4.968 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 1.912 -0.368 -3.285 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 -9.852 -9.825 -8.312 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 20.340 -18.906 4.364 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 -1.735 0.855 2.105 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 -2.004 9.783 -8.267 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 7.124 -12.613 -7.953 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 -3.663 -3.900 4.994 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 -17.035 -0.272 11.835 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 -14.287 -19.503 -19.299 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 -2.698 0.649 5.235 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 -10.481 -0.835 -0.697 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 5.631 5.254 5.698 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 2.164 -8.774 -1.843 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 -2.557 6.093 -0.579 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 -6.680 -14.044 -14.235 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 -4.253 -3.443 -5.114 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 -1.368 -0.211 9.131 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 7.191 2.245 -12.152 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 -4.126 -1.863 2.178 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 8.112 6.609 5.996 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 0.853 32.727 5.974 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 -3.183 -4.045 8.514 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 -0.718 1.490 -9.701 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 5.397 -6.986 5.568 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 3.191 -0.659 -7.000 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 -5.341 -2.970 -2.048 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 35.849 -17.180 -17.535 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 1.206 2.785 -1.703 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 8.201 15.718 -2.846 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 -8.467 -2.349 -13.257 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 1.795 -2.385 -5.401 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 9.423 -10.312 11.110 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 2.456 -13.816 -14.069 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 -2.580 2.710 4.998 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 -8.771 12.828 -6.500 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 -4.658 -3.178 7.891 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 0.621 -3.963 9.412 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 3.025 -4.845 10.044 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 -9.929 -14.352 6.700 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 0.379 -4.988 1.596 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 -26.136 16.720 -11.479 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 0.104 -14.380 10.293 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 -0.133 3.789 -1.964 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 -3.233 -10.945 3.274 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 4.131 12.390 -5.869 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 -1.087 2.327 2.468 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 -0.771 2.294 3.670 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 6.089 1.050 9.696 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 0.267 0.540 -3.171 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 -0.465 -25.625 -23.588 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 5.519 -1.096 3.277 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 5.876 -2.471 -2.204 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 17.393 15.104 3.999 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 6.860 -25.352 -8.671 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 -3.509 1.630 5.730 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 -18.925 16.224 1.100 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 -2.021 -7.235 1.612 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 -5.982 8.415 3.301 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 -5.266 6.672 9.538 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 0.353 6.419 -0.450 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 -3.282 -2.288 2.222 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 -11.405 5.482 8.753 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 9.124 -24.384 0.190 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 3.894 1.911 -5.707 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 -5.123 5.793 -11.315 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 3.162 2.162 -6.309 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 1.734 -0.266 4.427 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 -15.254 -31.169 20.196 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 16.175 21.004 -7.242 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 3.302 -3.080 2.514 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 -7.691 12.034 10.001 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 13.647 4.161 -11.727 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 -0.416 -1.542 -1.127 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 2.752 -2.388 -5.635 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 -11.240 4.725 -38.443 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 -5.460 -9.223 4.008 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 6.170 -8.800 10.308 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 -0.971 -9.019 -7.519 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 2.983 1.403 -2.091 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 10.667 15.309 -10.684 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 -3.412 7.067 10.495 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 2.745 -4.423 -1.310 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 11.456 -9.682 -0.427 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 18.293 -1.763 -13.171 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 -2.275 -1.483 2.556 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 3.825 -1.030 2.862 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 -3.488 -5.682 -1.383 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 -0.166 1.929 -4.100 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 -0.720 13.744 -7.784 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 -10.007 2.285 -2.729 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 9.578 -0.133 0.298 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 9.510 6.607 5.710 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 12.332 3.112 -5.119 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 0.078 1.001 5.670 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 1.097 3.582 6.529 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 16.330 -11.833 0.034 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 -1.708 -6.822 3.901 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 -28.464 16.923 14.045 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 0.513 -16.773 6.832 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 5.528 -3.518 1.233 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 -16.817 3.109 7.689 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 -3.709 12.279 -24.205 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 9.584 -5.168 -5.505 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 28.173 9.375 24.768 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 2.634 -6.482 1.347 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 -1.596 -0.766 -0.582 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 19.444 -1.915 -6.897 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 -3.349 13.664 4.680 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 3.302 -0.114 -1.238 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 -7.356 2.491 -6.127 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 5.161 -0.614 -0.829 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 0.391 -1.654 1.584 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 5.686 -11.253 -0.074 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 4.729 -0.337 9.644 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 -3.174 4.715 -2.155 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 22.064 5.205 -14.100 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 -6.366 19.520 18.073 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 -6.195 1.993 -1.196 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 2.668 -5.668 1.905 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 -8.115 -4.112 4.718 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 -6.885 -0.052 6.517 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 -8.613 5.652 9.107 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 -8.999 -13.267 2.426 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 -3.738 -1.399 0.173 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 6.578 1.479 -1.587 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 4.229 -14.787 -10.255 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 3.313 0.958 -3.522 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 -30.179 -11.401 5.528 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 22.686 -2.683 -26.562 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 5.204 0.673 5.018 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 1.459 15.922 -3.263 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 5.152 -23.738 10.294 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 0.442 -3.889 -0.549 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 5.769 -12.626 0.770 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 -1.348 -0.383 1.315 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 -2.228 -10.157 1.242 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 5.509 -24.779 5.046 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 -14.338 -12.551 15.849 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 0.518 5.991 0.604 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 -13.970 0.685 13.230 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 19.259 26.704 6.441 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 4.107 -2.065 -3.171 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 1.909 1.811 1.093 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 -3.006 6.549 -9.358 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 0.837 -3.162 3.249 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 -33.138 31.061 47.969 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 4.284 -6.580 -1.277 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 -0.735 -9.013 -4.739 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 -20.797 -18.413 -3.939 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 2.948 -7.619 23.036 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 -1.994 0.517 3.138 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 -1.728 3.406 13.589 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 -2.572 5.985 8.980 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 -1.322 -6.912 1.200 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 1.126 -14.211 -15.218 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 -1.897 -4.983 4.650 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 -1.947 -4.194 -5.919 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 11.721 -2.908 -1.033 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 -5.079 0.201 -19.206 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 4.756 2.741 2.740 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 -16.812 8.935 16.166 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 9.827 -27.125 -10.768 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 2.321 5.265 -5.892 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 -14.938 6.831 -13.527 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 10.642 23.914 -4.747 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 0.446 2.806 -9.955 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 0.646 32.451 -1.706 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 -15.759 -10.974 10.415 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 -1.308 -1.948 2.915 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 10.385 5.313 18.726 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 -15.203 -14.324 7.690 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 -0.116 -0.374 -5.514 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 3.926 -0.374 -6.724 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 4.709 5.754 -9.507 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 -3.237 -0.187 -2.883 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 -0.133 -9.692 9.377 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 -9.186 -13.803 -7.205 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 3.006 0.573 0.882 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 6.755 -1.367 -4.373 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 5.018 5.790 1.847 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 8.231 6.107 2.429 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 16.347 21.323 -1.851 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 30.768 9.757 -6.705 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 -1.666 -4.201 2.226 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 -1.139 2.487 22.433 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 -6.811 -6.690 4.869 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 8.277 -3.973 -2.168 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 6.953 -0.361 -7.551 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 12.700 2.476 -8.406 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 -5.383 6.356 4.857 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 -4.613 -2.762 5.046 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 -2.562 9.956 -4.654 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 5.757 -3.044 5.003 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 -0.664 -1.525 4.848 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 21.448 -25.856 6.426 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 1.012 6.268 -0.535 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 -2.779 -0.384 -5.861 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 8.009 -0.244 -1.768 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 0.812 -1.426 -0.339 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 5.225 31.029 -13.962 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 12.102 27.731 -8.570 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 2.346 1.491 3.149 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 19.746 -9.433 14.999 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 -12.896 -8.071 -14.749 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 0.514 -1.342 1.214 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 -3.098 11.708 14.825 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 2.456 9.772 17.480 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 -2.452 1.951 -4.684 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 25.124 -4.873 6.127 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 3.300 4.132 -26.563 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 -1.528 -1.956 -3.516 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 -10.389 4.810 0.880 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 13.367 31.592 0.764 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 5.695 3.035 -0.481 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 23.307 9.588 4.043 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 3.505 5.524 10.299 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 4.319 -6.313 -5.560 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 -14.390 4.418 -6.388 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 13.069 -1.507 12.700 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 7.071 3.741 -4.641 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 1.359 -8.928 -2.660 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 2.385 23.633 -10.008 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 -6.275 -2.026 -2.254 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 -4.817 14.950 -15.198 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 14.165 -36.302 22.470 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 3.809 -2.266 -1.806 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 4.434 -12.046 20.780 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 5.148 4.557 0.862 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 -3.012 -2.068 3.107 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 -2.501 19.282 28.166 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 -4.261 -7.661 2.526 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 -2.472 8.446 -3.718 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 -7.099 -4.987 -2.952 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 -13.566 -5.954 -10.961 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 -6.437 -6.222 3.178 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 0.142 0.567 -0.245 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 8.307 0.600 -11.572 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 2.083 2.004 4.492 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 -13.599 7.724 -7.900 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 22.285 6.274 -6.940 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 2.747 -14.360 -5.333 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 2.742 -14.168 -5.944 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 1.997 -13.613 -4.953 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 -0.437 2.471 1.976 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 -10.270 -9.164 9.226 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 -8.478 31.722 32.479 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 8.865 -3.953 -1.900 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 6.329 16.301 -18.565 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 6.889 -0.699 -31.382 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 -6.628 -5.877 -3.294 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 -5.481 1.943 -1.892 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 -4.832 5.134 -1.441 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 -0.998 -1.812 4.833 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 -2.583 -4.561 1.073 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 7.198 -14.816 -3.358 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 3.818 -0.670 5.747 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 -1.651 4.067 -0.244 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 12.439 10.769 -0.635 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 -3.336 -3.610 -0.797 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 -3.048 -6.019 1.156 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 0.804 16.872 -12.615 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 -4.581 -1.248 0.946 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 -15.510 9.688 4.516 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 1.201 2.646 -4.164 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 2.001 -5.128 -1.090 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 -5.871 -10.815 -6.900 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 -0.733 7.488 -10.119 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 -0.001 8.828 10.732 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 20.242 -17.672 20.319 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 10.564 3.537 29.042 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 6.509 -2.146 -5.922 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 -5.560 -1.849 -5.112 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 4.230 -10.960 0.673 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 2.651 1.669 1.940 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 3.399 3.821 0.425 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 -0.033 0.431 0.094 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 -5.031 2.588 1.445 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 19.360 -9.851 3.294 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 -10.935 18.680 -7.776 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 -0.415 5.653 -3.495 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 2.619 5.134 -2.382 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 18.097 2.056 3.051 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 -1.716 -1.227 -1.736 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 -8.637 8.009 13.058 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 11.500 17.516 -15.639 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 0.555 -1.396 7.340 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 -24.386 -2.992 -29.378 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 -0.582 -6.241 4.091 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 9.799 0.321 -8.032 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 -14.203 15.412 8.981 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 -9.056 7.857 -2.033 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 2.455 3.780 2.532 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 -2.640 -3.289 5.521 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 -1.832 3.111 1.146 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 -0.738 -0.735 0.980 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 10.028 5.270 -14.074 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 -24.958 -7.091 -8.907 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 4.886 -3.475 0.981 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 3.209 -8.282 10.245 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 3.048 5.560 -17.216 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 -3.615 2.052 -4.092 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 -1.913 -7.100 -15.180 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 -4.712 25.202 -0.961 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 0.062 3.096 4.438 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 14.260 10.890 -9.889 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 -31.062 13.548 -2.802 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 1.138 -4.475 -5.447 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 16.633 4.749 -5.910 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 3.921 3.451 -15.492 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 0.645 -2.270 -5.608 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 -19.004 -1.797 -1.990 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 3.274 -20.731 1.650 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 -0.670 -4.581 -0.421 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 11.056 4.621 5.094 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 -1.720 -6.499 3.059 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 3.186 1.070 -2.687 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 -2.805 -25.923 12.734 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 -22.612 3.619 -27.903 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 -1.890 -1.953 -5.463 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 -11.751 0.204 7.036 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 -5.370 -2.327 0.061 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 -2.511 0.322 -0.255 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 3.569 -7.250 -33.536 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 7.769 12.599 10.027 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 4.567 -1.365 2.277 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 7.606 -3.840 9.679 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 -3.185 1.100 -5.904 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 2.588 -3.294 -0.183 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 13.914 5.206 -13.631 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 -1.481 -23.917 6.088 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 3.709 -3.435 0.217 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 12.153 -10.695 -7.931 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 5.792 -9.781 13.199 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 0.089 -2.989 -3.502 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 6.454 8.387 4.161 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 -5.526 -10.172 -4.643 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 -4.049 -3.154 0.738 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 8.999 -24.082 31.470 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 7.917 3.477 -9.782 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 2.015 2.510 -1.146 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 -6.962 -15.991 -14.951 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 8.091 4.003 9.257 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 -0.913 2.617 0.229 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 -3.898 -3.190 17.211 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 14.503 -5.236 6.465 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 7.156 -3.401 -4.374 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 3.448 -0.394 0.075 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 6.963 -3.394 1.540 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 2.747 -3.303 7.108 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 -0.927 7.268 1.504 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 22.867 4.136 -14.428 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 3.134 0.228 -2.878 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 19.533 4.070 11.930 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 -0.055 0.885 -8.526 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 -0.068 5.034 -6.132 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 -0.832 -2.375 -1.027 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 0.978 12.636 -5.934 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 -7.794 -4.298 1.691 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 -8.036 20.011 -2.968 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 -12.452 -3.442 8.018 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 0.121 -0.719 -6.034 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 -6.448 -4.808 -0.951 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 5.514 -21.311 -4.572 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 1.776 2.264 -0.356 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 -7.584 -4.193 12.258 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 -4.428 14.649 1.516 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 -5.726 3.451 -1.812 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 -5.325 0.168 -5.182 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 -10.456 5.329 -1.709 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 -2.259 9.157 0.228 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 -14.635 0.200 19.359 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 -0.538 10.022 -3.933 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 6.989 0.508 1.481 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 21.735 -15.371 4.096 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 -5.192 0.176 7.801 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 7.056 1.824 -7.806 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 5.233 -4.569 -6.275 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 -1.135 0.941 -1.374 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 5.077 6.302 3.459 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 7.913 6.257 -6.477 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 -2.170 8.479 2.827 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 -0.589 2.704 0.076 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 -0.940 8.040 3.387 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 -6.443 -4.179 -2.524 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 2.832 4.609 4.646 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 21.738 -5.211 -10.457 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 -0.559 5.319 -2.261 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 1.550 0.135 1.144 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 -30.438 18.054 -11.134 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 4.862 -1.644 8.466 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 1.616 0.239 2.637 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 -1.990 -1.270 -22.805 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 19.585 9.470 11.605 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 -5.446 2.103 -1.960 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 -3.190 -11.127 -7.668 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 -8.281 18.344 5.838 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 4.581 1.369 6.263 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 -13.400 7.788 -21.310 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 10.628 2.310 13.218 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 4.167 1.002 2.855 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 9.516 11.278 -6.388 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 1.504 -21.153 29.237 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 -5.320 -1.982 -4.559 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 7.335 0.146 -5.955 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 22.331 10.065 -3.807 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 5.894 3.121 -2.219 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 19.592 -9.784 -1.058 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 -3.412 -18.047 -0.192 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 -8.822 3.213 -4.507 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 -10.977 6.644 4.495 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 -6.832 -5.657 12.371 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 4.475 8.007 6.115 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 -9.109 8.669 -6.310 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 22.047 17.665 18.764 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 -5.989 1.750 -1.959 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 -7.932 -11.120 7.628 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 -21.713 -9.883 -7.904 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 1.895 -0.611 -4.911 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 -7.128 -10.684 -6.187 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 8.484 7.260 -8.887 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 0.084 -5.021 -8.036 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 -19.927 1.152 0.753 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 6.081 3.253 2.749 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 -3.379 -1.952 -3.261 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 7.066 34.273 6.884 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 -4.093 -13.186 -7.459 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 4.497 -1.819 -4.713 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 9.338 7.539 -23.514 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 6.516 -17.944 10.320 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 -2.301 -5.427 -2.031 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 -1.280 -1.249 -1.569 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 2.154 -6.009 0.032 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 7.812 2.208 2.038 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 4.767 10.079 6.999 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 5.660 -7.808 4.801 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 -2.005 9.399 7.848 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 -1.967 1.064 7.495 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 -3.378 9.953 10.836 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 1.316 -0.045 3.895 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 11.885 -1.340 0.046 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 -6.738 -1.308 6.285 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 -7.162 8.256 0.579 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 -4.202 10.533 2.243 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 -1.902 9.700 2.516 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 0.599 2.989 4.102 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 -10.542 3.619 4.420 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 11.154 2.503 3.038 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 2.358 -3.989 -2.018 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 -9.316 3.208 -6.918 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 3.702 -15.229 17.630 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 0.192 1.970 -0.797 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 0.047 6.694 1.912 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 -2.482 0.474 0.849 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 -1.272 3.761 -2.105 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 8.536 -13.027 10.607 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 19.142 -7.417 8.570 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 1.248 1.140 -0.878 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 6.690 2.582 -0.617 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 -2.491 3.864 3.328 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 -2.494 1.042 0.763 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 28.904 -2.204 3.660 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 3.733 -1.557 6.878 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 -3.585 4.411 -5.064 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 5.031 1.620 -2.143 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 -24.495 8.119 0.357 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 4.434 -12.064 5.622 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 -1.574 -5.010 13.637 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 -8.338 21.504 26.941 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 -1.074 1.686 -3.356 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 5.355 -1.979 -7.971 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 -8.204 13.874 1.597 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 0.186 4.721 2.979 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 15.132 0.223 0.526 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 14.361 -4.662 4.278 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 -0.378 -4.878 -5.218 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 -0.321 -9.984 3.173 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 -4.375 -15.074 8.770 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 4.091 -3.014 2.300 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 -30.965 14.431 1.027 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 -13.211 -12.924 -4.809 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 1.932 -8.233 -4.922 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 -5.446 -10.481 -24.096 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 8.328 1.066 -4.469 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 -4.454 -1.992 -3.530 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 -9.904 -6.066 -22.531 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 2.497 -8.034 -12.591 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 -3.585 -1.979 -3.725 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 53.398 -9.910 9.848 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 -16.166 6.727 24.169 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 -6.938 4.189 0.778 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 -2.255 -6.124 1.937 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 -3.476 -10.916 2.137 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 -6.841 3.968 2.906 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 4.088 21.463 3.079 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 -13.485 -3.162 3.017 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 -1.610 1.564 -2.640 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 10.269 -26.477 -17.385 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 1.257 -0.640 -4.143 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 -4.779 -0.420 2.161 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 -6.824 4.288 7.800 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 -1.745 -3.099 6.106 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 -3.677 0.536 -2.577 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 -9.069 -3.413 -9.039 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 -2.493 3.415 5.859 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 1.416 0.480 2.669 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 -11.662 2.393 -8.783 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 1.626 -7.880 -7.813 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 0.137 3.738 -5.149 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 -5.958 -11.608 -8.375 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 16.850 4.214 -8.618 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 9.455 7.367 1.123 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 9.709 5.558 1.055 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 9.947 -6.246 -1.247 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 7.162 -1.367 -2.968 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 25.195 5.906 2.936 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 7.242 -3.554 -11.089 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 0.351 3.740 4.741 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 12.915 20.309 14.954 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 -12.590 -8.458 -1.364 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 -7.208 1.096 -7.926 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 8.798 -5.946 -1.626 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 -10.250 -8.196 -11.184 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 -3.021 8.203 5.268 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 13.014 8.827 -12.876 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 5.823 -14.835 -26.913 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 -7.330 1.341 1.726 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 -5.780 12.171 13.049 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 -12.846 -13.878 -13.935 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 6.127 -1.449 -2.237 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 29.457 34.514 10.659 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 7.822 -1.026 -6.098 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 -1.173 -2.690 0.956 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 20.538 -27.185 -6.506 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 -2.993 12.822 -4.860 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 -0.284 4.742 2.591 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 3.808 23.168 2.075 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 15.651 29.270 9.669 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 0.508 11.173 2.650 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 8.007 34.629 17.416 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 -2.709 5.494 -0.684 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 1.503 2.854 -1.254 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 12.380 -3.027 -10.851 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 -20.196 1.348 1.044 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 -3.994 1.462 4.275 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 2.617 26.863 22.849 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 -5.839 -4.376 14.546 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 -3.403 -4.248 2.792 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 -6.698 -1.637 -7.269 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 -0.412 -7.862 9.127 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 0.703 -0.297 1.116 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 -5.036 0.753 0.589 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 -19.451 -8.134 12.361 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 5.819 6.507 -1.884 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 16.908 7.040 -6.509 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 5.849 -5.307 1.921 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 2.441 1.412 -3.142 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 -14.867 -24.295 7.687 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 -5.356 1.612 -6.995 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 -6.936 0.663 2.474 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 -5.319 14.426 0.952 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 5.193 0.110 -34.218 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 0.108 8.616 -1.025 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 -29.478 -4.827 -0.212 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 5.068 9.371 2.249 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 7.463 -1.718 -0.498 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 -10.493 -12.035 -2.115 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 2.630 -1.023 4.418 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 8.092 -4.960 3.762 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 8.852 -5.311 4.789 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 -20.974 10.922 8.030 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 -5.885 -3.614 10.665 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 11.650 -14.955 12.354 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 11.069 7.607 -7.435 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 -0.035 3.598 -5.950 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 -2.751 -9.196 3.202 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 7.070 -3.649 -6.157 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 -0.169 -1.134 -2.782 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 -13.354 -7.550 -7.986 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 -1.642 -22.233 -20.697 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 -5.077 3.086 8.912 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 -26.999 -5.153 4.807 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 10.882 16.580 -3.963 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 -0.877 7.387 -2.556 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 -2.160 9.223 -2.263 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 2.675 18.694 -4.928 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 4.672 2.217 2.902 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 -4.995 -2.962 -7.059 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 3.310 5.872 4.087 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 3.810 2.655 3.665 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 -8.356 2.390 -3.035 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 2.917 3.935 27.567 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 4.810 -6.808 -2.074 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 11.441 11.817 -8.676 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 -7.211 16.445 -7.639 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 3.881 -4.299 -7.422 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 -3.981 4.795 -11.760 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 2.493 -1.212 -7.248 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 -0.534 6.102 -1.922 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 -3.605 25.215 12.540 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 -28.491 17.620 -19.938 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 4.250 -7.959 -1.091 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 6.984 -12.090 -3.801 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 -3.166 4.127 -4.403 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 -4.476 3.595 -0.434 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 -3.220 6.564 -0.713 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 4.567 21.600 -2.634 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 2.610 1.346 -0.108 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 -12.352 1.072 18.940 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 -8.246 11.501 20.227 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 5.669 1.842 0.836 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 13.089 -0.549 17.205 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 1.938 -0.083 -1.507 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 3.892 9.940 1.586 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 -6.962 -2.531 -17.165 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 4.705 9.119 1.420 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 -0.060 1.595 -4.418 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 0.966 -2.611 -2.249 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 1.739 34.096 -20.446 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 -1.422 -2.381 4.287 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 -4.467 -13.536 18.367 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 -0.245 12.216 -6.567 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 -2.180 -1.211 3.800 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 1.612 -14.372 6.453 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 -2.187 -1.663 9.951 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 -0.657 -5.255 1.515 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 -1.562 -1.404 -5.458 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 4.781 3.059 -4.899 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 -1.610 1.021 -0.749 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 5.326 -21.911 17.292 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 2.679 -11.853 0.806 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 3.041 1.040 -4.625 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 9.778 -0.888 2.914 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 -15.797 3.185 0.266 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 2.210 -5.808 -2.696 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 3.585 7.254 19.382 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 -1.145 14.132 -23.391 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 -0.666 -2.997 -3.782 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 -8.238 -20.227 20.562 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 2.864 -3.996 -8.258 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 2.832 5.241 -5.237 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 33.687 24.304 12.507 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 -8.313 4.181 -12.526 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 4.775 4.609 -0.262 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 5.028 -21.065 -7.167 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 1.855 19.542 1.518 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 2.195 -6.987 1.518 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 -1.704 -8.186 -6.572 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 -1.039 -11.226 -1.739 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 0.726 3.161 -2.369 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 -10.525 -26.939 11.851 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 -5.086 9.528 -32.041 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 -7.361 -7.431 2.421 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 1.524 12.280 3.000 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 3.448 -23.621 4.937 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 2.083 0.004 -6.913 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 -2.823 1.785 -12.334 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 0.119 -3.816 -3.527 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 -2.704 0.428 -3.581 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 -0.520 -13.961 -6.796 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 -0.211 -2.997 -2.553 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 -2.379 10.699 3.947 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 15.150 10.563 -5.714 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 0.256 -12.594 24.370 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 -0.144 4.099 1.479 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 11.419 -1.054 36.334 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 -18.205 1.863 0.652 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 -0.677 -2.795 -3.786 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 -0.543 2.822 6.673 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 -6.865 -11.235 -1.919 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 -2.452 1.372 -0.574 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 -9.517 -6.006 -4.690 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 -17.086 -25.184 -18.781 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 -5.167 -3.140 0.883 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 -5.809 -0.918 0.395 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 -13.337 3.409 -4.313 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 -4.795 1.486 -5.841 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 -0.896 10.293 10.247 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 1.379 10.412 10.895 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 -1.059 -2.555 -1.762 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 -1.142 4.612 -7.548 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 -3.492 -6.303 -7.802 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 0.816 -2.791 -4.890 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 6.963 17.488 4.051 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 -11.047 12.994 15.826 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 -2.122 -0.696 -0.406 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 9.191 -3.240 3.127 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 -12.140 -7.711 8.871 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 -10.683 6.199 -3.298 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 -27.533 -15.183 13.750 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 -26.979 -27.250 20.430 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 0.672 2.779 2.012 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 31.825 3.028 21.670 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 0.183 1.333 4.230 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 -3.343 4.677 0.282 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 6.588 11.955 -0.860 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 -0.552 -0.772 11.760 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 4.117 2.212 -4.877 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 -15.317 -19.294 -4.471 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 -6.672 -26.564 -28.943 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 2.581 6.247 4.847 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 14.609 1.020 -3.187 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 2.534 6.288 22.544 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 -0.627 -0.216 0.544 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 6.974 -18.867 -4.382 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 -21.346 -3.185 12.993 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 2.657 1.894 0.028 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 -5.015 8.675 0.071 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 7.307 -12.477 3.126 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 -1.619 -2.766 -2.135 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 25.987 1.405 9.802 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 3.588 6.210 13.858 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 -2.491 0.110 -0.068 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 -2.187 22.294 -17.755 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 -2.405 22.368 -18.273 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 -5.855 4.469 5.154 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 4.763 11.022 -6.198 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 -4.030 -5.141 12.382 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 -2.517 6.629 0.697 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 -4.472 29.890 -7.450 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 8.113 -16.114 -0.611 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 3.601 -1.287 -9.023 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 -16.743 -0.499 2.340 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 7.674 16.235 1.312 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 -5.576 -0.560 -2.891 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 -5.948 -6.159 -0.387 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 -3.455 -0.600 -7.109 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 3.952 3.807 3.163 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 -9.208 10.154 12.088 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 31.492 7.611 14.477 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 6.082 6.148 0.476 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 32.146 5.742 8.250 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 7.109 -1.863 -34.463 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 1.539 -5.751 -5.966 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 12.998 -16.714 0.222 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 -10.345 0.205 -9.084 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 -3.043 -3.439 7.443 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 1.048 -24.922 14.855 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 5.005 12.407 -1.586 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 1.382 0.471 -5.799 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 -6.850 1.335 -7.363 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 8.305 7.482 0.307 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 2.034 -5.893 0.487 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 -0.028 2.602 3.007 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 10.395 -13.115 -20.101 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 4.514 -3.214 1.228 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 9.945 1.489 -4.763 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 8.309 -9.420 -6.774 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 0.727 3.210 -6.090 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 -10.272 4.475 1.251 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 13.055 -0.190 -4.807 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 -4.562 3.477 3.579 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 -6.664 -2.805 13.122 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 -5.738 -23.809 -7.949 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 -0.414 -1.236 2.160 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 2.151 -7.920 -14.575 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 6.679 21.455 0.745 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 -0.727 -3.481 -7.007 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 -12.236 -11.835 -10.828 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 -21.409 -6.024 -14.351 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 -3.955 4.138 0.031 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 -5.903 -4.642 -17.085 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 12.322 -4.698 -2.449 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 -2.542 4.435 3.825 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 -8.364 12.912 4.271 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 -2.260 1.446 15.844 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 2.759 -3.233 -7.318 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 10.806 9.710 -5.683 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 -4.787 -7.104 -9.329 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 -0.736 -0.292 10.809 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 2.567 23.301 7.557 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 18.222 4.929 13.720 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 0.356 -2.788 7.854 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 14.020 2.517 -4.779 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 -10.184 13.035 10.355 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 0.265 -3.656 0.854 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 5.031 -10.422 -9.850 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 -9.689 -13.651 6.734 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 2.780 6.274 -2.572 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 5.232 -4.810 -8.233 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 -0.063 18.708 -1.036 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 4.394 1.537 -6.556 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 0.173 -1.485 9.357 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 18.104 21.483 0.427 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 -6.561 4.294 0.162 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 -19.116 -5.415 -3.060 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 12.984 15.653 -10.117 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 -3.185 -3.548 0.157 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 -27.338 -24.139 16.251 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 -1.396 -34.704 6.972 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 7.067 1.424 -10.042 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 13.964 -8.202 -3.492 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 -2.217 3.266 -1.823 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 8.916 -1.123 -0.569 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 -0.735 -12.489 20.380 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 21.018 -11.176 -6.848 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 0.739 -2.295 6.860 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 4.509 3.877 -1.943 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 8.821 -2.870 11.269 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 -1.226 -2.259 2.150 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 6.113 -22.843 -9.126 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 -8.327 23.157 11.121 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 -1.138 2.727 0.500 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 8.099 12.013 25.753 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 18.813 3.760 -9.337 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 3.248 -3.506 -9.055 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 28.020 24.487 2.207 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 2.704 -8.682 24.830 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 -1.696 -1.319 1.499 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 -7.289 -5.780 -9.106 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 2.149 7.051 -0.695 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 6.236 -4.113 -0.130 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 8.992 -36.203 -15.883 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 -4.829 -4.180 -7.609 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 -5.571 -3.029 -10.002 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 8.202 -1.162 -1.874 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 30.338 6.182 -21.008 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 2.124 -8.392 -4.286 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 -7.121 -6.952 -3.567 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 6.841 -14.200 -12.665 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 -7.845 -4.013 -1.264 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 -18.519 -7.120 1.157 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 0.226 -5.916 2.065 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 3.563 0.449 3.086 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 6.638 3.884 7.008 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 0.976 -2.364 -23.351 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 7.312 -7.763 3.445 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 -3.409 6.239 22.967 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 11.793 -15.251 -5.415 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 -4.042 1.080 11.519 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 -16.614 -7.196 -12.974 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 17.872 6.660 2.166 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 -2.566 -2.186 3.618 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 17.452 20.968 -4.143 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 -11.438 17.088 12.859 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 -2.690 0.480 3.322 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 14.880 15.397 3.408 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 -7.858 2.062 -6.864 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 -5.851 -1.888 -0.842 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 17.928 6.938 -20.431 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 -6.261 -13.258 11.865 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 -4.741 -6.090 9.582 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 3.663 -7.512 2.550 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 -14.888 0.685 13.465 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 6.425 5.552 0.727 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 -0.875 -3.603 20.505 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 -5.274 -6.461 -2.591 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 1.253 2.089 3.516 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 -9.694 -0.588 11.127 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 11.828 -4.347 8.956 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 -0.989 -1.002 1.356 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 -10.313 -12.149 5.423 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 -1.415 -0.444 -13.273 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 -6.048 -2.012 3.687 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 -27.715 14.578 5.810 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 -11.664 3.396 4.591 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 -4.259 -0.790 4.607 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 -3.708 1.942 5.820 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 -17.485 0.955 10.075 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 10.592 2.695 0.896 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 20.697 4.311 -21.773 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 0.287 0.720 8.627 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 -0.078 -3.327 -8.683 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 2.351 -7.527 -6.281 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 4.512 9.692 4.239 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 4.443 2.667 -3.904 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 2.265 8.422 -17.950 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 12.103 -23.265 3.978 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 2.622 4.455 -1.426 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 5.977 8.548 2.936 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 -2.272 -5.679 -14.540 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 -3.100 4.020 -1.555 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 -5.608 -8.362 -7.872 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 -0.541 2.140 4.456 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 5.912 3.620 -2.060 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 4.602 3.835 -13.937 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 1.145 19.141 -21.492 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 -0.071 -4.146 4.594 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 -8.644 -12.928 14.081 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 8.932 -5.147 10.848 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 -1.475 -0.435 1.842 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 3.507 -19.814 -3.886 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 1.276 16.162 -10.415 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 2.950 6.571 4.913 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 -10.296 1.245 -0.746 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 -0.419 -3.737 24.116 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 -2.432 -0.473 6.226 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 -3.358 -20.920 -3.005 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 -16.587 19.856 -6.549 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 -1.459 -0.444 -5.991 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 -6.029 2.777 -7.580 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 18.853 6.345 -12.556 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 4.106 3.795 -3.554 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 1.008 4.612 -6.235 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 21.909 -1.019 -5.230 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 2.075 -0.494 3.077 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 26.572 -11.826 0.704 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 7.904 25.643 -5.188 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 -1.738 -0.059 1.693 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 -12.014 -5.968 -0.733 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 1.790 -5.058 24.536 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 1.711 -2.094 0.062 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 -3.779 4.816 1.301 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 -3.128 -3.295 -1.248 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 -0.482 -1.293 -2.353 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 7.449 -5.877 11.963 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 -9.519 1.414 8.647 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 -2.472 1.196 1.567 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 3.166 1.057 4.208 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 -2.295 3.229 -3.395 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 0.389 -1.397 0.912 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 5.546 -17.154 16.203 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 20.084 1.192 -27.625 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 10.607 -1.480 6.719 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 -11.492 -4.351 3.085 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 31.952 2.577 10.773 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 8.668 1.988 0.462 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 4.464 0.035 21.242 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 -3.402 21.420 -2.718 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 1.573 3.399 -3.534 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 2.565 4.117 -1.809 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 6.057 0.271 -7.310 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 6.201 -5.213 0.246 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 -3.434 2.108 -2.235 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 2.503 -16.459 -6.976 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 0.688 1.404 -1.891 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 12.699 -0.119 -12.441 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 -22.411 8.540 5.798 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 -0.290 -2.609 4.138 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 13.394 3.106 12.728 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 5.628 -4.166 -10.018 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 2.166 1.543 2.160 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 4.474 16.874 11.549 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 -3.520 -1.644 -8.289 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 6.819 0.608 0.527 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 -13.255 14.457 2.495 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 26.861 -8.640 -19.085 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 1.509 -2.609 -1.410 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 -14.559 1.454 8.076 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 8.362 4.406 -16.154 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 -1.187 -2.748 0.814 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 -17.337 25.511 17.536 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 -9.775 8.621 11.432 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 2.602 -2.761 6.191 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 2.616 -2.184 10.564 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 3.162 -2.026 -29.001 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 9.168 -1.115 4.703 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 -0.589 1.586 4.303 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 -1.224 1.700 4.228 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 4.092 1.711 -3.422 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 10.033 12.536 17.655 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 2.703 -22.587 -3.056 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 -6.559 -2.952 -0.183 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 -3.258 -3.006 -2.525 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 -9.946 -3.504 2.650 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 -5.533 2.899 -1.352 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 -15.336 3.219 -3.718 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 18.587 4.128 4.942 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 -2.112 -7.863 -3.367 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 -12.740 -6.464 1.352 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 6.323 -8.896 -6.799 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 -1.362 5.451 -3.453 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 -12.738 12.708 1.490 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 -2.025 3.319 -16.045 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 -1.643 -4.418 -0.347 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 -9.651 -4.213 3.204 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 -26.403 -4.863 -11.973 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 -6.051 2.331 2.047 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 5.274 1.135 19.430 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 -2.861 1.825 20.032 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 -0.528 -3.601 5.325 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 -8.412 1.285 -15.735 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 11.910 -12.455 32.833 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 -4.960 -2.157 -0.558 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 -15.201 -6.131 14.870 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 0.034 -1.583 1.258 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 -4.957 1.825 5.661 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 -6.848 7.156 -28.452 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 19.358 10.444 -3.832 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 4.361 1.202 -1.395 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 26.490 -28.273 5.980 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 -25.996 10.616 -14.998 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 -1.111 -6.977 0.498 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 29.244 12.435 27.057 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 -6.363 3.488 -2.095 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 -0.443 -0.558 -9.093 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 3.031 11.749 5.687 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 -5.580 -16.046 -1.549 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 1.966 -0.572 1.959 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 2.036 9.862 4.499 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 -1.163 -1.375 18.638 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 1.894 -3.282 -1.902 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 20.789 5.609 -12.587 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 -14.002 -9.388 -17.412 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 -8.762 -0.494 8.755 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 -12.656 -12.768 5.523 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 -1.887 3.343 -3.150 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 -2.884 3.704 4.168 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 -16.970 2.545 3.813 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 -2.202 -8.185 1.379 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 -3.832 -1.239 3.838 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 -5.434 -15.460 18.284 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 -2.461 -4.374 -3.985 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 -5.511 -9.393 0.958 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 28.686 -31.657 8.921 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 12.629 -23.103 13.230 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 -3.135 -5.633 1.276 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 -1.528 -12.008 19.358 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 -4.237 -8.348 14.371 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 -2.805 -4.382 -3.166 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 4.053 7.476 -1.244 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 -9.721 -1.663 1.738 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 0.529 -3.801 -10.856 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 -9.039 8.076 47.220 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 4.968 -0.021 10.567 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 -2.292 6.740 2.109 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 -26.077 1.372 6.990 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 8.873 11.755 -14.243 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 -3.640 1.602 -0.845 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 -6.658 8.058 -8.216 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 16.238 -1.850 -0.086 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 1.741 -3.784 1.506 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 1.793 -0.096 6.419 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 1.358 0.781 -3.795 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 1.408 1.003 2.121 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 -5.646 3.367 0.790 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 -0.006 16.003 6.121 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 -0.917 -3.831 4.610 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 5.249 7.162 -21.753 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 -9.548 9.254 -5.198 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 4.391 -2.563 -4.347 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 8.197 -2.278 -29.272 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 13.897 -4.768 -4.022 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 7.089 -4.331 -6.180 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 21.567 0.938 1.268 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 -8.905 16.916 -9.543 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 -4.172 -2.524 -1.128 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 -19.200 0.518 -11.312 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 -2.015 2.388 0.083 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 -2.121 -5.799 3.556 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 -16.074 -1.829 -1.995 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 10.253 20.346 7.514 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 5.085 1.660 -3.354 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 9.625 6.137 3.014 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 13.585 -10.751 -0.046 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 1.476 0.017 0.252 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 -14.208 12.228 1.135 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 -3.977 -7.914 -18.459 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 -2.151 -2.580 -0.815 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 8.082 7.651 -13.746 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 -6.188 10.944 12.971 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 -2.250 2.118 -5.897 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 4.566 5.937 -13.230 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 12.124 -8.943 2.140 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 1.187 -0.809 0.931 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 -13.971 -4.127 -3.693 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 33.267 13.976 11.020 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 3.616 -7.435 -3.329 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 3.696 -13.122 -7.674 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 -1.406 -15.649 -19.697 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 5.247 0.363 -0.296 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 1.818 7.677 -11.239 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 8.712 1.652 -5.204 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 1.831 -1.007 3.847 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 2.455 -15.689 4.194 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 10.802 6.193 4.011 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 1.223 4.980 2.269 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 4.426 10.252 6.605 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 -0.759 9.498 17.380 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 -2.471 1.257 -1.060 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 -7.069 2.062 6.059 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 -1.421 -4.678 1.457 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 4.776 -3.687 2.969 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 13.888 3.648 3.983 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 -6.358 3.721 9.508 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 -9.647 -0.931 -6.473 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 10.574 8.127 -22.149 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 8.932 -21.975 1.391 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 -3.965 1.213 -7.577 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 -6.682 -27.418 -15.887 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 -22.482 13.910 9.478 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 -5.142 -6.774 9.699 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 14.025 8.616 11.429 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 -1.190 14.548 -18.485 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 0.340 -3.499 -6.921 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 -17.809 7.881 -4.689 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 -15.040 -26.770 14.137 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 -1.170 -8.096 2.742 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 -2.450 -7.227 7.727 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 0.085 -8.353 -6.613 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 1.659 8.894 4.425 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 -6.553 7.871 11.512 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 1.641 0.116 -13.421 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 -1.526 -7.332 8.141 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 5.307 11.363 -12.780 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 14.538 -16.622 17.514 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 3.557 -1.772 4.593 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 -15.704 -5.813 10.872 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 -2.312 -3.221 7.070 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 -3.388 -0.575 0.049 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 15.425 -12.270 11.243 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 1.812 -3.955 -22.731 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 -3.910 -1.629 1.242 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 7.313 -30.466 25.725 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 8.230 -13.966 14.315 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 6.369 6.618 2.978 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 17.637 1.927 -0.005 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 11.279 16.907 -10.340 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 2.261 0.200 -0.941 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 -5.544 10.096 11.845 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 23.120 -18.115 -18.191 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 -5.943 1.041 -1.231 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 4.924 -2.844 8.451 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 7.858 10.318 15.428 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 -10.008 1.039 -4.268 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 14.135 1.142 3.214 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 6.559 1.490 2.007 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 -0.612 -6.047 0.600 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 -2.083 -23.257 10.667 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 0.569 2.295 -3.648 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 0.309 -2.386 0.555 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 -13.774 -11.682 3.329 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 7.527 -3.039 15.216 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 -9.759 5.004 -3.038 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 1.094 0.967 -4.244 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 -9.158 12.109 4.907 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 0.037 -1.293 2.606 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 -34.603 -2.845 9.324 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 -7.322 1.809 -1.444 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 2.280 2.260 2.419 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 7.385 8.131 4.189 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 21.004 8.701 3.736 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 -0.741 -3.656 -0.348 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 6.514 1.910 19.598 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 -1.301 -0.703 -2.027 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 -7.525 -1.666 -5.576 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 -16.441 -18.650 33.462 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 -13.498 10.463 -21.545 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 0.116 8.620 4.598 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 -15.847 -4.403 -11.082 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 -2.037 21.055 8.997 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 1.280 -4.412 2.536 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 -4.335 -23.210 -20.346 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 7.154 -8.696 27.548 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 -1.831 -6.826 4.873 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 -4.759 18.211 -3.870 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 -12.841 -1.769 3.864 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 0.553 5.449 0.241 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 0.764 5.211 9.639 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 -0.570 5.469 2.397 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 -2.441 -0.475 3.085 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 -6.213 -8.484 -11.969 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 1.808 6.550 -15.730 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 2.912 1.355 4.359 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 -22.932 -5.848 23.788 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 -1.892 -2.367 -9.479 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 5.227 2.901 -10.236 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 0.413 -0.366 -8.934 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 -2.063 6.461 -3.781 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 3.384 3.892 -3.798 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 6.242 -1.898 -8.084 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 1.070 5.638 -3.161 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 5.851 4.155 -0.912 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 14.601 6.610 15.171 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 6.490 -15.101 -4.842 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 -4.941 -1.861 -2.085 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 -7.800 -0.149 -2.889 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 10.678 -10.331 -3.375 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 0.794 5.599 -2.029 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 18.191 0.794 7.581 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 12.191 12.346 -18.839 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 -5.170 5.557 5.306 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 2.062 -0.929 -0.855 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 -6.266 19.595 6.590 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 -1.449 0.058 -4.177 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 -9.668 9.607 -8.424 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 -0.181 7.480 6.324 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 0.571 1.632 -4.578 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 12.974 -9.057 -26.306 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 -0.097 8.797 -6.021 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 4.614 -0.534 -1.658 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 7.005 10.641 -20.377 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 -10.701 -0.750 11.057 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 -1.946 1.635 -9.254 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 -3.374 6.688 -2.149 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 20.808 -12.826 -0.583 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 -3.592 -0.841 -8.887 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 -26.395 -8.827 -14.745 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 -39.207 -13.433 -17.900 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 3.912 1.664 -2.073 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 -13.897 -5.447 -8.147 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 -23.702 7.393 -23.141 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 0.376 -1.233 3.235 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 -21.536 -8.789 -2.761 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 -12.259 -7.005 -4.586 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 -0.061 -6.735 2.857 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 -11.399 3.671 -19.581 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 -7.283 -13.906 25.724 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 4.847 -0.653 1.488 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 -20.715 29.999 -12.943 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 -33.185 27.090 -13.494 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 2.908 -2.390 -0.740 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 -15.541 -1.546 -12.296 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 19.007 -2.404 12.261 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 2.796 7.380 0.153 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 3.889 16.156 -15.700 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 -8.105 -7.081 1.986 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 2.904 -4.492 -0.494 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 -16.674 12.455 -1.598 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 8.658 -8.613 -0.751 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 -1.543 -0.220 8.092 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 -7.495 -0.508 1.590 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 -11.032 -4.915 17.140 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 -3.455 -4.567 -4.852 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 -1.071 -25.698 10.275 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 -5.790 31.307 -11.246 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 4.376 -5.147 -3.082 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 -3.181 0.113 -2.069 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 7.591 -12.917 1.869 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 -0.906 -4.625 0.693 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 -6.971 -21.009 1.926 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 -14.825 4.231 2.099 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 5.596 -1.975 -4.565 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 7.108 -1.885 -4.562 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 9.260 2.753 -0.156 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 -1.844 -0.835 -3.191 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 -1.083 6.711 -4.465 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 -5.513 -1.578 7.601 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 1.627 0.936 3.090 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 -0.750 7.525 -9.476 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 -29.200 20.070 -16.738 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 -5.323 -4.168 1.429 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 -3.128 4.792 14.501 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 5.125 -13.941 1.808 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 -1.945 0.607 -1.075 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 2.295 22.022 -9.828 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 5.355 9.050 -9.878 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 2.171 -5.424 -4.516 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 1.164 -4.154 -0.564 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 5.629 -4.669 -2.137 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 5.947 -1.861 -9.824 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 12.802 -7.753 -11.721 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 7.905 8.723 -11.701 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 -5.971 -2.996 -3.045 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 -22.977 5.530 6.643 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 -14.935 -16.693 26.069 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 3.487 0.112 2.264 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 -9.560 -30.676 -11.594 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 29.578 6.186 -1.256 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 1.448 2.724 -1.547 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 -6.387 -5.438 -2.959 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 10.034 10.913 0.531 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 -0.239 4.787 2.373 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 -30.093 1.479 14.368 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 -1.709 -4.982 19.025 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 3.724 -2.844 1.277 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 26.632 9.507 -9.133 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 5.158 11.179 -5.660 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 -2.024 0.351 2.237 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 17.891 -14.711 5.600 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 -10.172 21.139 -14.238 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 6.226 0.650 6.132 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 -5.940 21.045 -15.474 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 -26.626 3.871 -3.193 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 -4.786 1.424 -6.825 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 -4.449 -1.083 12.727 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 -3.652 19.617 -7.802 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 0.559 2.573 1.924 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 0.480 -3.382 4.754 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 -9.004 18.910 2.697 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 -0.957 -0.697 3.683 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 -13.702 0.965 -11.398 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 11.395 -14.658 -1.045 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 6.307 3.104 -6.702 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 13.129 9.350 -1.322 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 -7.185 0.743 -9.830 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 2.238 4.073 -3.289 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 20.268 -7.838 2.676 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 -2.000 9.733 -10.215 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 1.690 0.196 3.974 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 26.642 19.932 4.073 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 18.376 10.351 -8.854 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 4.514 -1.059 -8.668 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 14.733 4.729 -36.387 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 22.376 -5.665 -19.753 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 -1.557 3.388 -9.724 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 2.792 20.079 -6.949 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 1.057 14.880 -24.181 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 -0.904 -3.716 -2.543 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 10.053 29.497 8.392 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 2.389 -5.199 -23.608 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 -2.103 -1.526 1.471 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 1.698 2.209 1.089 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 -13.010 -6.131 -6.675 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 -0.504 -1.211 -3.024 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 3.032 -11.670 -10.551 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 7.196 8.606 -6.836 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 -0.813 7.044 -6.726 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 10.067 23.168 4.851 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 2.171 10.213 -9.590 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 -9.057 0.477 -9.437 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 11.560 -2.716 -13.960 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 1.532 -3.728 -10.387 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 -4.196 -5.500 3.628 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 -4.574 0.188 4.224 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 -45.373 10.210 4.161 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 4.673 -1.362 3.475 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 7.681 -5.906 -8.026 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 13.991 -2.212 10.063 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 -6.922 -8.038 -7.660 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 0.174 16.474 0.642 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 -7.183 -4.795 -5.004 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 7.253 4.227 1.522 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 -8.022 4.184 -18.564 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 0.817 -3.026 -13.555 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 -0.576 -5.697 -6.727 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 -1.565 -8.385 -6.145 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 3.600 3.244 -5.024 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 11.554 0.831 5.458 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 -20.021 12.060 11.915 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 10.479 -2.525 13.224 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 7.278 4.530 -2.414 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 -40.212 -3.500 0.883 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 20.983 7.773 1.368 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 0.429 0.545 7.500 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 36.509 7.281 -3.980 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 15.879 -7.183 21.857 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 -8.029 -2.478 -0.921 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 10.773 0.269 2.891 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 -16.072 -0.058 15.977 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 0.258 2.076 -3.208 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 2.846 14.873 12.723 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 1.845 -7.990 -23.878 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 -4.242 -3.800 -3.626 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 3.789 -29.431 8.677 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 8.132 21.901 14.659 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 -3.901 -2.907 0.528 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 -4.760 -2.986 -0.708 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 -6.373 -4.310 1.594 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 3.146 0.173 1.601 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 0.100 -17.778 0.241 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 13.997 18.164 8.073 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 0.691 0.784 -1.751 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 3.657 -1.485 -12.189 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 3.987 -4.706 0.694 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 -0.232 7.104 0.855 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 -3.951 13.163 -12.376 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 -2.026 -9.361 -6.298 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 0.646 -2.850 -5.697 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 -0.272 -2.400 -8.000 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 -1.817 -1.144 10.495 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 -5.159 3.746 9.371 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 -10.842 16.762 26.790 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 8.139 -19.150 -19.509 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 -2.649 -5.083 3.299 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 10.683 -21.705 -0.750 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 -13.965 -10.692 21.402 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 0.824 4.835 -0.203 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 -2.749 1.894 -3.419 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 10.654 12.169 -2.489 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 -3.247 3.173 1.550 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 -1.157 6.085 7.411 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 -4.608 6.435 6.410 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 -2.070 -2.782 -3.255 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 -10.314 -7.032 7.603 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 1.217 0.216 -10.990 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 -5.676 2.230 4.141 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 -16.371 -3.381 0.384 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 5.922 14.756 9.838 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 1.472 -4.221 -6.829 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 11.031 -1.616 25.026 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 -0.387 -5.915 -23.104 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 -8.637 9.220 10.426 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 -13.079 11.517 25.591 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 -2.477 19.435 17.468 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 -8.588 -2.482 -4.131 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 -0.019 0.066 -4.159 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 -13.751 -4.017 -7.408 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 -0.363 -0.248 -2.976 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 -12.629 -0.379 -6.998 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 1.008 -8.266 -15.361 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 0.059 -6.247 6.293 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 37.081 -0.154 12.677 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 -22.888 -0.134 2.922 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 -4.266 0.257 -1.649 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 -0.025 11.071 -20.235 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 -1.241 15.313 5.285 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 -0.478 -2.933 0.758 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 -6.333 31.387 5.006 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 12.613 -32.084 13.439 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 -6.314 1.796 5.374 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 -13.764 0.834 -5.546 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 12.724 -5.623 -3.366 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 -0.214 1.620 2.652 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 -24.968 20.114 -11.271 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 -15.911 -4.291 -7.531 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 2.475 2.565 -0.800 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 22.651 -1.772 5.221 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 -9.246 10.609 1.613 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 6.172 3.355 4.181 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 12.688 2.882 11.353 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 9.977 0.068 -5.982 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 1.939 -6.508 0.990 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 20.254 -24.104 -13.292 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 19.065 -5.130 9.153 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 -1.443 0.102 -4.151 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 5.516 5.229 -2.554 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 -36.943 -9.739 3.689 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 -5.081 4.623 2.811 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 -3.023 3.176 -2.876 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 -5.110 10.519 7.727 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 -2.755 -1.310 -3.267 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 -1.650 26.478 -4.882 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 3.771 -6.083 -2.207 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 6.670 -4.180 8.513 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 5.144 16.300 19.558 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 5.915 -13.915 1.389 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 -7.381 -2.864 1.661 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 0.081 -3.094 3.443 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 -0.633 13.269 15.683 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 -1.918 -5.570 -3.746 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 -6.388 2.099 6.032 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 -2.475 4.625 -3.320 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 2.812 5.961 1.971 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 1.984 12.580 -11.371 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 -8.314 6.413 7.650 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 -5.614 1.992 -0.740 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 2.345 7.956 5.200 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 13.233 3.932 20.740 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 -3.567 3.744 -3.481 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 -11.330 -2.947 9.018 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 29.798 21.621 -41.186 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 -4.180 8.267 -0.517 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 3.542 33.129 -14.770 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 28.288 2.833 -10.085 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 -6.126 -2.854 4.060 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 -5.020 12.489 5.797 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 -4.388 -3.960 9.155 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 -3.514 -1.680 -7.561 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 1.717 -21.422 9.791 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 12.096 16.287 6.959 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 3.501 1.317 -3.542 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 7.075 -12.777 0.165 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 20.707 12.907 -14.239 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 -3.563 -6.639 -3.723 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 -13.205 -4.151 -8.100 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 7.479 -9.818 7.271 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 -3.028 -7.829 1.109 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 -5.481 1.682 -9.573 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 -10.686 -6.502 9.014 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 -2.635 -1.544 0.994 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 5.249 19.896 -3.306 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 -23.642 1.626 -7.483 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 0.903 -4.832 -2.745 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 14.309 -3.970 6.827 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 5.937 1.233 -19.211 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 8.677 -3.513 1.539 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 2.237 0.094 1.649 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 14.514 -3.567 -17.329 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 0.319 -1.918 1.811 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 5.628 -1.212 -0.647 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 0.243 -6.864 -1.596 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 2.123 2.805 1.326 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 11.371 10.048 -0.076 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 14.583 17.354 -1.377 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 -0.457 -4.822 2.551 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 -0.397 -6.922 0.211 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 -21.654 -21.853 -1.623 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 -5.193 5.904 3.408 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 16.028 18.062 6.421 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 4.394 -0.811 -14.211 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 12.223 -3.916 -5.029 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 4.901 1.055 -8.265 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 16.588 -13.319 2.598 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 -0.911 2.779 -3.534 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 4.704 11.872 16.080 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 -19.560 -0.243 -16.333 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 1.533 12.251 7.142 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 13.370 -13.257 -12.617 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 -11.177 9.010 3.571 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 -12.625 -1.247 7.441 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 -16.337 -2.393 7.284 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 -13.666 -0.133 10.842 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 -6.182 3.193 -3.468 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 -14.406 0.074 -9.280 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 -2.604 -5.739 -2.950 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 -6.542 0.022 -3.709 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 -19.234 -11.807 -11.899 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 -1.773 11.424 -6.598 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 1.042 -0.850 0.324 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 -23.147 -6.412 7.471 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 7.735 18.486 15.798 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 1.837 -0.071 -4.937 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 -1.296 13.860 7.345 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 4.778 -5.156 1.678 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 5.539 0.400 2.995 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 15.339 19.334 11.301 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 -16.814 -1.788 9.765 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 6.580 -6.988 -8.944 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 6.558 -22.424 -15.644 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 11.886 -5.226 -9.328 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 4.093 5.578 -0.577 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 0.513 0.471 -0.823 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 -2.553 -7.106 3.076 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 3.747 -7.105 -4.618 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 -12.118 14.946 -5.244 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 -8.466 -1.471 -22.736 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 2.719 -1.335 -4.587 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 -6.603 7.153 -0.795 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 5.637 -5.302 -3.201 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 8.640 -2.983 3.333 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 -1.727 -7.645 0.712 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 7.808 0.002 -0.843 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 -8.625 0.364 -4.706 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 -0.656 2.719 -4.810 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 -21.221 -5.936 -9.471 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 -2.144 -4.593 -5.935 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 -11.820 -7.367 -11.361 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 -4.259 -8.717 4.289 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 2.187 -2.661 -4.946 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 -1.378 -8.501 -6.463 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 5.981 5.034 -1.711 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 -2.623 -7.403 -0.223 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 6.558 -15.418 5.778 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 -11.329 -5.923 1.423 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 2.571 -1.635 2.245 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 0.052 0.780 -7.770 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 12.845 -19.477 -4.194 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 2.395 1.119 7.887 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 -7.298 9.542 -7.130 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 -4.011 21.236 -8.674 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 -8.623 -14.956 -7.021 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 -20.265 -11.242 -0.537 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 -2.817 -17.075 -7.790 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 -3.822 -5.918 -6.336 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 27.058 -12.810 0.638 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 -2.615 5.936 -6.724 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 2.409 -0.350 8.074 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 20.924 0.487 -10.827 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 1.377 -1.733 2.769 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 3.625 2.825 3.510 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 8.485 6.740 4.679 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 9.104 3.667 -0.295 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 3.579 3.157 -9.085 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 -3.185 12.039 -9.753 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 8.619 6.405 -1.633 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 -2.965 2.342 3.099 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 -0.705 17.110 -5.023 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 -5.202 4.145 -24.610 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 5.961 2.998 -5.329 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 -6.368 -2.437 8.325 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 20.851 -10.591 -8.183 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 -1.389 4.006 0.324 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 13.764 -3.394 -13.334 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 -6.167 10.413 4.117 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 -3.581 -9.491 8.883 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 -3.760 -5.724 -4.369 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 -12.658 2.178 0.943 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 2.322 3.617 0.041 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 3.969 3.354 0.210 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 2.670 3.671 0.140 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 6.132 -1.138 -6.471 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 7.087 -12.898 4.628 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 -10.635 -7.249 -21.584 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 -1.464 -1.581 -3.532 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 6.152 -4.686 9.851 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 -0.489 1.759 -7.305 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 -3.225 2.718 -7.231 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 0.359 8.664 -9.945 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 -1.962 11.309 6.705 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 5.720 8.200 5.172 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 7.567 15.926 -17.917 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 27.222 0.131 -5.922 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 1.247 3.397 1.022 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 22.563 -10.517 -13.637 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 -9.304 -18.442 31.126 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 -3.165 1.348 -3.122 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 -7.385 -0.749 6.815 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 1.388 13.567 3.412 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 2.921 -2.343 -0.454 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 -0.329 -9.670 -27.764 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 7.619 1.524 0.888 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 0.835 -3.808 -7.528 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 8.794 -15.229 -3.411 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 -2.431 2.770 4.042 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 -2.846 -0.948 3.088 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 5.053 -0.084 13.956 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 4.982 -2.154 -6.658 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 -6.705 7.492 5.925 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 -6.769 9.190 11.568 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 -14.681 -4.982 -18.022 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 6.097 0.713 -5.105 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 -18.588 7.396 10.383 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 5.848 4.244 -4.461 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 6.212 -4.531 -4.748 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 -2.833 -7.358 -12.525 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 5.662 -9.864 9.610 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 -5.178 -7.277 5.462 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 2.450 -10.049 10.526 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 -12.705 -12.134 9.080 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 -3.430 1.497 7.487 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 -33.155 -9.004 31.814 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 -6.151 -0.054 -7.019 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 -2.656 -2.443 1.405 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 25.387 6.702 24.751 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 18.585 -7.978 -4.894 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 -2.407 -0.055 -7.146 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 -8.782 -0.662 -18.690 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 15.377 -14.616 -14.968 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 -1.403 -4.153 1.547 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 -5.382 -6.352 -2.410 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 -15.594 0.883 16.821 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 3.311 2.550 -2.107 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 2.548 21.181 -9.874 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 3.709 19.051 4.657 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 -0.624 -1.339 0.810 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 15.336 14.115 -13.036 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 2.229 -12.832 -0.840 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 -2.701 -2.747 -4.461 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 -6.658 14.721 2.700 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 -2.462 14.237 9.151 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 -3.115 -0.424 -1.922 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 -11.035 -8.102 -11.074 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 -28.056 -6.334 -26.330 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 6.021 -6.418 0.122 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 8.040 -11.036 -14.008 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 18.496 1.786 -4.522 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 1.489 -5.476 1.779 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 3.681 -1.278 -0.476 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 -11.299 23.057 -3.555 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 1.050 -3.971 -3.979 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 1.366 -13.287 4.626 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 15.363 -1.200 -6.556 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 9.804 -7.759 0.946 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 19.358 -0.282 -0.889 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 6.414 9.201 -0.828 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 1.645 -10.377 5.011 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 7.348 -2.218 1.893 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 3.824 -7.931 6.096 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 1.225 -2.646 0.449 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 -15.785 -6.371 -2.328 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 22.446 -11.643 -6.184 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 -1.668 6.926 1.935 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 -4.915 7.805 -6.482 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 -28.486 1.700 -20.048 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 1.247 8.177 0.529 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 2.012 -19.071 -11.389 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 -1.934 -4.012 0.358 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 -0.010 -5.832 -4.111 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 0.633 -5.853 6.083 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 4.324 -10.241 -3.670 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 -4.126 9.743 -1.243 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 -10.702 12.293 2.431 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 1.880 12.567 -0.167 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 4.229 0.139 0.122 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 -3.346 2.604 1.973 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 7.571 2.761 -2.881 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 7.886 3.436 1.200 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 7.824 24.009 15.049 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 21.022 1.369 17.999 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 3.488 -4.024 -1.769 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 -1.124 -5.570 -15.183 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 5.162 -3.871 3.953 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 2.441 4.839 -4.866 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 -10.864 12.880 3.304 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 19.854 -5.384 -18.809 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 -1.480 -3.210 -1.062 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 -17.838 22.959 21.167 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 6.904 4.258 -29.821 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 -3.387 -0.943 -1.577 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 -8.105 13.904 -8.865 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 7.290 -28.396 -2.659 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 7.662 3.480 2.317 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 -10.448 6.801 -14.412 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 10.293 -4.636 -2.428 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 -0.010 0.227 -2.177 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 -0.168 -3.587 0.914 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 -5.204 -8.476 0.975 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 3.226 -5.764 6.690 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 -3.260 0.388 12.372 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 3.606 -9.897 3.900 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 -0.873 0.924 -0.945 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 5.319 -4.826 -12.026 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 13.164 3.990 5.198 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 2.628 0.304 3.311 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 4.071 5.341 -3.829 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 -23.977 27.237 -27.577 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 3.324 2.899 -0.328 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 -0.598 1.222 1.649 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 3.297 2.218 -0.694 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 5.779 -9.092 -1.733 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 5.991 -10.765 0.512 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 3.520 -3.213 -0.474 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 0.101 -9.671 5.587 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 18.859 9.119 11.323 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 19.759 7.184 11.744 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 -0.325 -1.551 0.738 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 -6.133 -2.279 10.311 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 3.527 -6.723 -10.821 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 2.365 -4.148 3.602 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 2.976 9.891 6.389 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 9.990 -11.607 -20.222 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 -4.247 -0.563 -2.293 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 0.263 30.823 8.533 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 3.753 3.946 10.065 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 -1.222 4.921 -2.481 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 8.149 -13.565 0.448 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 -9.712 -7.783 -14.881 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 7.165 6.672 -5.231 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 -13.821 2.335 -24.376 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 0.979 5.842 -10.591 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 0.446 -2.529 -0.375 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 10.052 3.145 -1.565 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 8.312 11.556 -14.005 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 -0.040 1.551 1.230 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 15.266 5.780 0.854 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 2.750 16.799 28.231 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 -9.858 5.414 -1.569 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 -3.389 -18.327 32.919 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 4.701 13.700 -9.913 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 2.848 1.523 2.117 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 22.157 -30.770 -6.407 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 -10.782 -3.877 -34.009 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 -0.543 -8.070 -4.773 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 14.815 -31.657 -11.604 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 21.411 -6.481 49.368 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 -1.280 4.545 1.129 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 0.536 11.449 8.617 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 2.566 10.041 3.932 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 3.157 5.334 4.574 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 2.823 -5.942 12.259 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 4.901 8.380 13.055 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 -1.102 4.114 0.255 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 27.548 -8.335 16.657 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 -9.991 2.341 16.834 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 -1.756 0.311 5.593 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 -15.446 0.289 -33.811 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 -6.216 16.335 14.263 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 -3.318 2.447 2.785 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 -31.305 11.262 -12.379 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 -6.016 2.661 1.997 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 -4.772 0.851 0.952 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 -6.026 0.903 2.414 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 -5.667 1.198 2.285 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 2.923 -0.298 -5.941 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 -36.797 2.434 -30.260 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 -15.249 -32.720 -1.766 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 2.520 -6.997 -7.750 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 0.866 -7.640 -12.015 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 18.749 8.991 12.984 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 0.922 -2.134 -0.588 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 12.219 -7.246 -9.733 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 -12.725 4.483 -21.093 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 -0.459 -3.150 2.786 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 1.264 -16.967 4.100 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 -16.008 3.283 13.426 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 4.533 0.443 -7.104 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 -3.494 -2.842 -5.042 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 13.274 -3.007 23.080 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 3.661 0.346 5.359 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 1.644 6.781 9.726 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 1.995 12.669 -0.328 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 10.057 0.081 -10.719 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 -15.401 -13.827 -27.476 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 24.723 9.459 -14.858 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 1.184 -0.310 -3.788 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 -9.358 1.749 -1.661 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 -9.820 -13.669 -8.405 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 -0.873 -4.266 -2.006 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 0.506 -11.005 1.145 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 4.632 -4.876 -0.436 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 -3.680 6.733 1.102 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 -0.332 23.065 -2.684 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 -10.455 2.523 -4.223 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 1.491 -3.615 2.997 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 7.291 -23.210 -28.852 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 33.270 -2.138 17.015 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 -4.843 -1.823 11.102 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 -9.357 -3.082 4.407 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 -0.326 6.107 10.068 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 -5.027 -0.801 3.251 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 -2.929 -6.189 -2.565 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 -7.495 3.434 -2.553 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 0.124 4.782 -6.894 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 1.124 10.335 -10.189 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 -1.656 13.361 4.552 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 1.881 2.033 1.411 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 1.981 7.554 12.075 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 3.300 1.771 0.245 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 3.476 0.359 8.440 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 2.952 -5.251 14.821 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 11.067 -0.177 6.513 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 -1.610 1.179 -1.253 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 11.797 -3.497 -7.429 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 4.127 14.105 8.343 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 0.283 -1.514 5.366 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 -0.554 -0.069 5.119 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 -3.638 2.097 3.162 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 2.298 -2.594 -9.523 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 -18.876 16.197 22.479 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 4.741 6.952 1.264 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 -2.514 -7.488 4.314 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 1.247 2.974 -5.170 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 4.490 -6.348 15.508 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 5.084 2.532 -1.169 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 19.110 -4.150 21.998 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 -13.837 7.888 -31.394 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 -1.173 1.029 3.030 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 -15.880 2.049 -2.283 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 -23.854 13.287 7.145 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 -3.180 -0.739 -0.341 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 10.321 5.759 4.991 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 7.256 12.134 27.717 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 4.663 -3.901 -2.004 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 10.572 8.064 5.378 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 14.180 13.888 6.527 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 -6.699 1.463 6.510 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 -20.809 1.060 52.902 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 -4.319 2.181 1.924 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 5.401 -0.302 -3.349 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 1.034 -6.913 -5.589 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 -6.202 -13.047 5.088 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 4.397 -1.245 -5.013 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 -6.179 -7.125 -0.950 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 6.110 -5.885 -7.303 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 9.836 -0.640 -0.597 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 12.520 0.978 -4.408 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 8.692 -12.959 7.020 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 1.512 2.226 2.099 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 -1.009 14.359 8.680 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 -15.024 -3.226 0.367 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 3.114 4.205 2.038 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 1.267 -3.822 0.259 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 -3.089 4.680 9.358 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 -4.533 1.614 5.780 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 -6.038 10.124 12.837 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 2.698 5.391 2.439 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 -8.741 4.015 5.326 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 -3.245 -14.613 5.631 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 -3.237 33.824 -4.008 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 2.905 -2.366 0.389 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 19.439 -4.715 -12.136 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 7.459 -12.189 13.588 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 0.198 -3.761 1.055 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 12.913 0.988 1.111 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 -4.030 -4.972 14.620 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 -0.800 5.868 -3.320 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 -4.383 15.381 -18.523 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 -16.851 -0.332 -8.988 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 1.294 -0.670 -0.256 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 14.132 -11.626 -8.028 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 8.916 17.269 -1.531 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 -8.988 -2.752 4.829 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 -24.486 -20.504 -8.836 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 8.107 -6.935 5.357 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 2.916 4.107 -5.644 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 -4.559 6.039 -2.983 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 2.154 -12.599 -11.789 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 1.406 6.763 -6.502 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 13.080 -22.831 -16.370 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 11.262 -6.474 -2.347 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 7.812 4.930 -10.052 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 16.781 6.285 1.485 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 4.050 8.235 -7.078 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 -1.734 4.545 0.585 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 -2.258 35.463 -5.577 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 -1.937 -8.634 2.144 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 -3.242 -3.504 5.856 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 6.782 6.402 16.586 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 2.636 -19.261 9.347 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 1.635 -4.832 -6.419 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 17.337 16.369 8.980 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 -11.075 -23.861 13.183 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 -4.176 3.125 3.667 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 -7.537 7.532 2.497 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 4.516 -8.710 6.101 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 -2.676 0.600 4.016 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 -12.556 -18.591 12.569 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 -7.234 -17.096 -4.585 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 1.664 5.606 -3.793 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 -5.087 1.276 6.078 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 -7.998 13.053 -10.849 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 -0.080 5.156 -6.961 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 14.407 -2.741 -0.851 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 -1.309 7.796 -4.934 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 4.013 -0.988 0.305 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 3.122 3.095 8.313 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 -8.425 11.642 -23.584 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 -10.139 3.899 -3.091 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 -16.257 3.209 13.382 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 -9.127 7.914 -22.341 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 0.239 3.294 -2.900 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 -8.978 -10.828 12.380 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 12.595 -8.009 11.071 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 6.036 3.494 -2.629 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 -2.290 5.339 23.346 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 -7.989 0.413 0.287 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 -0.697 -3.065 -5.934 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 3.974 -4.667 -2.516 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 -6.309 -0.892 -10.017 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 -2.516 -2.185 -9.081 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 -9.555 -3.252 10.946 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 -4.160 -5.881 12.060 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 0.644 -0.619 -3.651 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 -15.452 7.557 -12.008 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 18.086 -6.008 -21.712 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 -2.606 3.331 4.382 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 0.029 4.754 1.541 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 -2.768 -2.551 5.119 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 1.266 2.195 7.662 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 -6.180 5.868 -0.863 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 20.638 -7.797 2.069 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 -3.004 -1.050 -7.089 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 7.733 -23.764 -23.807 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 -20.855 -11.130 -11.145 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 -4.455 2.300 4.089 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 0.100 -2.001 -1.434 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 -9.240 5.510 -5.698 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 -3.022 -5.062 8.483 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 2.445 -1.031 15.621 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 -7.699 0.526 9.187 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 -6.244 -2.442 3.826 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 -10.775 -1.657 4.992 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 6.123 5.384 6.234 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 -6.643 -0.200 -5.235 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 10.704 9.565 2.765 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 1.355 -15.980 -16.497 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 -3.395 7.292 -10.198 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 -33.140 5.609 -18.899 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 -8.380 0.122 -11.725 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 3.498 -0.496 -1.275 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 4.163 4.475 -5.130 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 -2.120 -5.256 -2.960 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 2.353 -12.538 2.191 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 13.419 -8.937 -12.145 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 20.064 -7.073 7.671 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 8.977 6.967 -2.038 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 0.925 3.467 -5.845 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 14.606 -0.321 -6.083 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 -5.064 2.234 6.297 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 -9.847 -9.169 -47.431 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 -9.148 -12.895 -0.093 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 4.154 -3.128 -2.867 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 11.651 18.169 9.715 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 6.580 -13.786 3.335 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 -3.209 -4.036 -2.573 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 6.428 -4.061 -6.177 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 -10.091 8.674 7.760 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 -2.905 -3.311 0.592 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 -4.612 -0.416 0.068 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 1.596 -25.555 -6.215 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 6.900 3.204 -6.432 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 23.542 9.765 -20.715 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 2.877 23.564 -10.678 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 -3.118 1.623 1.417 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 -13.870 -21.624 -3.721 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 5.563 3.006 24.229 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 11.121 -4.734 7.196 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 -29.655 -12.590 1.015 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 -1.080 -5.874 8.930 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 -0.585 9.215 -2.550 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 14.192 27.785 0.378 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 -25.929 -4.275 -10.177 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 -1.156 0.548 7.335 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 -13.678 -6.085 -3.253 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 19.170 -5.103 -12.690 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 4.037 4.792 -9.794 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 8.804 10.815 -31.593 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 20.643 -9.550 -3.618 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 2.335 5.653 0.335 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 -21.113 -2.802 -2.948 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 12.898 5.658 -1.003 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 -1.070 -0.006 -4.169 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 5.053 -20.520 24.742 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 5.099 -13.354 5.465 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 -0.805 -1.942 -5.932 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 5.666 5.013 -2.876 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 -6.479 -20.029 -9.340 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 4.570 -0.847 2.596 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 -8.950 28.594 13.365 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 13.178 -15.603 17.083 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 3.436 8.083 5.702 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 1.177 3.289 -11.390 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 2.698 14.136 11.847 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 -1.753 -0.919 -2.333 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 -13.557 0.720 -7.212 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 -4.421 -9.099 4.561 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 0.245 2.586 0.020 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 4.242 -4.869 -7.206 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 -8.597 -4.962 -24.496 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 -0.100 0.036 6.017 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 4.843 -2.030 16.183 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 4.197 -1.964 -14.434 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 2.331 -0.137 9.552 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 -0.586 -9.181 -7.020 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 -2.714 10.154 -5.276 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 0.050 -0.847 -7.395 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 18.045 -5.272 -14.714 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 -8.374 -14.811 -4.717 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 1.447 -0.994 -6.761 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 -3.329 -5.194 1.118 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 -5.553 -6.185 8.930 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 2.324 -1.272 0.500 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 2.456 1.934 -0.984 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 2.340 -22.335 12.369 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 3.182 -3.496 3.117 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 -19.748 -2.354 -5.907 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 11.301 18.254 -4.028 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 -0.582 -8.833 6.584 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 -17.644 -2.204 -11.646 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 -16.649 3.767 -12.516 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 -3.621 -1.622 7.751 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 7.711 7.656 -33.645 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 -8.139 14.075 13.150 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 -1.957 -0.034 -1.880 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 3.241 19.803 -2.416 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 27.148 25.242 3.158 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 0.370 -6.498 2.083 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 4.519 -9.173 20.803 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 3.782 3.021 26.156 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 6.048 -2.926 -5.287 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 25.888 -11.795 -0.341 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 14.206 5.466 -4.659 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 -2.920 -2.929 -2.849 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 -2.541 0.224 1.626 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 6.140 0.686 -1.764 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 -7.296 -5.080 -6.164 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 -6.819 -11.253 -5.644 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 -1.466 4.457 -2.366 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 1.423 -0.677 -3.277 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 19.524 -15.963 21.120 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 -11.147 34.413 2.174 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 2.097 -2.598 0.602 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 -3.082 -4.725 -1.593 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 -15.247 2.947 8.919 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 1.572 -4.372 -1.023 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 -0.492 -9.291 -1.358 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 -2.051 -0.592 -1.525 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 1.176 -3.435 0.746 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 -7.501 8.565 -2.185 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 -9.637 8.089 0.836 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 2.754 -0.950 2.220 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 -0.802 -8.944 -5.488 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 10.597 9.572 10.089 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 -3.247 1.971 -3.961 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 9.096 -11.159 -6.749 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 -13.369 6.764 -20.748 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 -2.931 -3.876 -2.243 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 3.699 -17.101 27.313 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 -19.029 27.780 1.620 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 4.548 3.193 1.974 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 4.528 -4.925 -11.643 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 -12.812 3.351 13.151 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 -4.928 0.075 -0.043 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 -13.306 -5.388 -5.298 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 11.700 7.850 7.174 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 0.283 -3.405 -4.441 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 -4.374 -12.453 -24.790 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 0.550 -0.290 3.060 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 4.902 5.138 4.496 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 8.963 -2.580 16.602 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 -4.872 27.219 6.808 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 4.720 2.016 5.890 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 -4.334 -2.634 -6.779 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 0.237 -0.120 -2.326 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 6.530 1.685 -1.594 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 -15.743 -5.911 5.215 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 22.108 6.167 21.243 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 -1.636 8.515 6.351 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 -21.962 24.861 10.252 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 4.556 -1.147 4.061 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 -3.956 -1.350 6.618 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 -5.418 9.849 15.469 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 1.420 38.269 16.904 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 4.764 -1.527 -2.066 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 0.464 -5.020 -2.516 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 17.384 -0.895 -9.582 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 -5.503 -1.288 2.120 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 18.076 21.805 18.731 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 -8.251 10.352 -5.187 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 3.787 6.453 -3.753 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 -4.628 -4.149 -9.034 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 9.019 12.919 -0.117 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 -1.521 3.443 6.812 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 18.930 1.146 23.568 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 15.034 -4.304 -2.258 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 -0.106 0.601 0.084 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 1.661 -6.978 0.337 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 -8.106 -9.426 5.730 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 -2.748 -3.895 2.492 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 -2.154 -5.035 13.894 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 4.885 3.076 4.288 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 4.139 -0.344 1.353 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 1.398 -22.116 -5.433 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 -8.783 -2.248 6.927 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 6.075 6.302 1.009 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 -7.100 10.908 5.231 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 6.131 -2.179 25.519 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 -3.208 -3.779 -3.139 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 -14.264 -9.165 -26.287 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 -24.474 20.414 7.395 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 3.126 1.200 4.088 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 -0.499 -0.626 3.447 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 -3.535 -3.406 4.909 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 6.142 2.153 5.308 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 -3.242 10.581 5.112 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 -28.455 10.065 11.443 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 7.886 -1.890 4.424 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 1.998 -8.094 -1.565 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 10.868 -1.356 1.194 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 4.091 3.116 -3.339 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 2.824 -4.650 -3.681 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 17.309 -13.875 13.698 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 2.333 2.176 -3.041 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 -22.034 18.000 -7.950 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 -7.664 -19.800 19.947 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 3.382 3.891 2.737 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 5.417 1.365 -18.534 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 20.310 -5.064 6.742 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 0.057 -3.118 -0.487 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 17.934 -2.040 5.731 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 -5.465 -7.934 -6.990 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 0.955 -2.547 0.713 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 -31.672 -3.114 -1.625 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 10.792 14.603 21.074 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 5.065 0.974 -2.398 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 18.567 -11.958 -2.623 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 8.735 -0.044 -1.072 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 1.647 -2.037 1.260 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 6.662 -8.796 3.117 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 5.769 1.563 -6.735 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 3.292 4.673 2.865 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 19.318 14.469 -6.362 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 -0.015 -13.261 -6.569 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 -5.285 -7.477 -0.508 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 -3.465 -2.083 3.732 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 -19.471 1.303 1.589 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 -0.549 -7.890 -1.629 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 -6.292 -12.144 0.438 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 -4.593 -0.896 -11.495 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 2.844 6.420 3.898 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 6.664 16.312 6.499 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 25.319 9.562 -3.775 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 1.090 1.899 -1.320 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 -20.333 -5.814 13.911 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 15.348 30.602 20.950 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 -5.713 5.840 1.830 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 -0.339 9.579 -4.336 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 -10.498 6.201 6.147 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 -4.219 -6.851 -8.616 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 22.887 -13.383 -12.040 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 -8.468 -23.287 13.055 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 2.494 1.676 3.326 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 0.784 -21.109 -7.797 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 14.664 -2.918 8.585 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 -0.386 -2.126 2.398 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 -18.507 11.844 10.313 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 13.108 -3.051 3.831 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 3.060 -1.173 -4.123 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 5.481 -29.265 19.082 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 6.913 26.588 -8.800 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 -2.183 -1.533 6.795 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 15.647 -1.935 14.385 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 -17.789 -18.683 -11.261 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 -0.977 -7.311 -4.972 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 11.335 1.150 -16.873 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 4.850 0.944 -14.725 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 -7.047 -9.163 0.019 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 43.738 1.516 18.610 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 5.643 -12.706 1.199 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 5.323 1.110 1.703 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 3.746 -1.495 -12.364 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 16.694 -0.517 20.365 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 2.955 1.238 -0.539 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 -7.633 10.414 -5.191 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 33.076 1.019 -6.599 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 -2.455 -0.292 -4.067 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 -12.478 8.945 4.361 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 17.884 -3.334 13.318 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 0.519 -1.233 -1.989 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 -1.995 1.841 -3.149 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 2.610 -3.175 -3.304 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 3.095 -2.036 -0.909 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 1.615 -2.868 -15.308 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 -1.182 9.358 5.573 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 -8.445 -2.612 12.290 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 -3.679 -11.939 37.033 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 -11.341 2.881 -8.786 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 -6.366 -6.781 1.445 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 -16.719 -8.332 -4.579 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 6.976 -1.461 20.371 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 -0.242 0.107 3.243 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 -1.303 -6.095 11.380 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 -3.133 -5.512 -4.464 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 0.672 -0.743 -3.484 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 -7.850 15.418 -0.348 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 15.307 3.028 -0.219 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 -0.992 0.691 4.510 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 10.784 -10.021 -6.249 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 2.956 13.502 -2.428 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 3.838 -2.582 3.338 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 8.412 -10.912 7.262 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 14.964 5.639 3.999 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 3.359 -1.193 -1.682 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 -25.790 -3.309 -20.597 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 -7.634 -10.437 24.052 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 -0.532 -1.477 -3.598 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 8.887 18.567 -8.634 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 -1.639 -11.199 -23.616 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 -0.101 0.150 3.852 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 46.614 -17.897 -14.325 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 -8.218 6.060 -0.370 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 -2.979 0.243 4.030 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 12.937 2.168 0.172 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 -12.914 1.290 0.205 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 5.827 -5.523 6.500 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 7.931 -3.236 3.935 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 -13.859 20.376 0.851 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 -6.947 2.940 6.604 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 -9.152 -11.795 5.191 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 -9.427 8.986 -11.442 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 3.147 5.485 3.030 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 13.786 22.872 12.020 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 6.716 40.558 -1.326 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 -1.172 0.356 2.252 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 9.766 -6.572 10.832 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 0.824 24.969 -0.185 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 -0.724 -8.453 8.957 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 -7.400 -14.203 5.083 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 9.049 -15.282 16.127 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 -6.122 2.012 -0.077 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 -3.936 -0.420 -2.213 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 -15.624 5.955 2.808 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 1.126 -1.035 -2.453 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 11.337 -2.547 -1.884 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 -22.953 -2.552 -34.024 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 -5.865 7.464 1.275 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 3.342 22.362 -13.204 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 -8.928 9.223 3.078 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 -0.692 -1.514 0.463 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 -1.167 4.278 -17.598 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 -2.856 -14.904 12.744 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 -3.456 -3.160 -8.253 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 -0.872 -0.791 14.301 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 -7.062 -1.694 2.177 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 -0.616 -1.835 -2.892 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 -12.156 1.043 -6.026 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 8.838 7.080 -9.116 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 0.347 5.271 0.030 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 27.366 -20.933 0.176 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 9.308 3.573 -0.366 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 0.283 2.427 -13.480 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 1.270 7.803 6.968 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 -16.469 9.152 9.242 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 6.181 -2.074 0.613 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 -8.235 -24.786 -2.865 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 -2.407 -19.162 -4.413 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 4.375 3.175 2.180 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 -19.098 -8.174 9.250 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 12.140 4.916 -15.441 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 -7.984 -1.055 5.940 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 17.578 -3.654 -1.295 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 -4.308 -6.632 -2.297 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 2.184 -0.401 -5.038 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 9.802 8.490 2.021 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 -22.698 5.108 6.086 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 -2.010 -0.122 6.137 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 -15.623 5.309 6.706 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 9.142 -4.554 13.043 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 -3.534 2.860 -5.882 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 -0.664 5.381 -12.002 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 -9.882 1.323 14.670 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 6.412 -2.450 -3.049 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 17.633 0.317 -12.203 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 -7.628 -13.287 -2.544 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 -0.533 1.282 4.478 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 16.300 -7.082 2.516 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 6.672 5.609 6.468 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 0.897 4.882 -7.076 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 -2.797 5.820 -4.340 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 0.012 -2.001 0.966 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 -6.929 -0.396 2.623 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 -18.946 8.151 8.919 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 12.809 -11.547 -5.039 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 -4.565 -5.800 -3.960 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 -20.695 16.366 -31.921 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 -11.690 -11.720 18.352 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 -8.394 -4.327 2.214 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 -8.059 33.080 -18.187 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 -9.956 -9.973 2.420 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 1.555 1.043 4.713 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 6.110 1.215 6.575 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 18.912 4.822 2.993 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 3.781 -1.981 -4.209 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 38.233 15.394 -20.349 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 3.561 0.195 -11.607 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 6.194 -3.338 5.883 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 4.232 -1.071 5.983 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 -14.715 19.735 -1.442 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 1.297 -5.063 -2.546 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 1.752 -16.411 -10.143 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 -0.853 -1.877 1.492 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 3.516 -2.098 -3.430 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 2.766 3.332 -11.695 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 8.023 0.557 -4.387 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 0.252 3.480 2.817 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 4.320 0.072 12.909 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 -0.629 9.931 -12.743 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 -1.159 -6.003 -4.140 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 19.286 -11.142 -9.136 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 -12.903 -2.939 -2.542 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 -3.935 -1.772 0.559 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 -5.506 -1.385 3.748 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 -13.215 -6.698 19.728 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 -7.568 -6.559 8.642 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 -2.222 -4.089 21.389 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 -22.497 -24.148 17.323 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 -3.167 3.313 -1.726 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 4.836 7.402 2.550 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 -7.359 8.775 -6.277 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 -1.163 0.701 -11.008 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 7.716 11.195 -12.874 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 -8.380 -10.911 -9.653 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 -0.084 -0.306 7.739 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 -19.010 -7.398 2.039 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 3.454 19.060 -6.185 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 -3.755 -6.297 4.938 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 -21.698 -25.352 -9.791 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 10.472 3.514 -17.331 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 -0.440 5.972 -2.078 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 -23.850 3.255 -4.461 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 -35.714 0.636 -4.099 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 1.822 1.456 1.629 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 -6.044 -9.134 -8.213 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 14.816 -2.501 15.971 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 -5.056 6.883 2.830 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 13.011 21.747 4.425 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 6.437 -18.062 -16.252 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 4.541 7.388 5.925 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 1.352 -2.704 1.829 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 -0.179 -9.793 2.603 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 -7.225 0.734 -1.269 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 -4.636 10.544 -10.440 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 -8.288 -6.197 7.088 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 2.096 -4.054 -2.314 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 -13.038 4.940 -1.551 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 12.466 4.946 9.441 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 -3.425 -0.159 1.459 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 -5.821 8.409 19.959 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 -16.066 -42.986 -17.314 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 -4.159 0.004 -7.270 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 8.636 -6.109 -5.653 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 -2.189 1.581 -14.799 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 0.541 -2.951 -3.929 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 -6.061 -7.978 -3.851 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 8.738 4.492 -2.890 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 2.314 2.954 0.055 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 1.156 5.720 2.022 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 -2.784 -7.692 -12.174 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 -5.417 -2.060 -0.514 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 -3.519 -5.298 3.470 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 10.734 -30.032 16.999 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 0.041 -3.844 -4.823 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 0.126 -12.499 3.861 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 -6.896 4.956 -9.258 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 -2.965 -2.197 -0.831 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 6.329 3.294 -41.752 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 -15.143 -15.357 -10.123 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 -4.051 5.408 -1.984 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 3.724 2.351 -6.807 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 12.454 1.415 -16.837 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 1.883 -0.258 2.060 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 -1.936 1.260 -5.157 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 0.674 -12.052 -13.145 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 -3.396 4.931 -5.923 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 3.553 3.199 -2.615 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 -11.350 19.379 -20.057 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 -9.339 3.872 1.485 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 -13.677 15.098 -0.701 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 25.414 -17.681 -1.217 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 1.556 -0.368 -3.717 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 3.650 -1.676 -5.035 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 -6.636 -4.143 -6.888 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 -5.272 0.794 -2.365 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 2.594 12.129 15.322 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 -18.580 -16.077 8.949 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 0.053 4.216 7.387 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 -13.881 -16.309 2.120 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 5.880 22.119 -5.942 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 -1.600 3.043 2.100 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 14.531 4.122 -17.920 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 2.553 -9.127 13.920 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 -7.037 4.226 -6.095 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 18.366 3.564 -8.982 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 -1.107 -4.997 19.296 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 3.081 2.617 2.167 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 -29.675 3.057 -4.000 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 21.209 -2.829 13.118 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 1.128 -2.137 2.143 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 -2.828 7.235 -19.719 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 7.284 -5.282 -0.679 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 2.701 -5.663 4.781 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 -15.609 10.509 4.262 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 1.485 -4.772 4.886 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 0.652 -1.513 0.476 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 -12.601 5.659 -11.931 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 3.013 2.752 -0.630 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 -0.084 -1.311 1.141 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 -6.923 -3.824 -11.409 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 -0.833 0.850 -8.954 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 -5.507 -2.360 3.044 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 -9.872 -9.203 0.981 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 -11.407 -0.761 6.171 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 1.161 1.600 1.939 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 -0.818 -1.373 12.899 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 5.308 24.903 11.790 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 -3.822 -1.779 3.593 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 -0.462 -21.647 11.200 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 1.012 -10.933 -9.563 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 -2.306 -0.251 2.731 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 -3.072 11.535 -1.255 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 -4.866 3.347 3.450 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 3.571 0.853 -6.794 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 -14.853 6.009 12.687 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 -6.459 13.824 -13.652 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 -3.936 6.678 0.476 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 -3.605 5.457 -0.236 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 -10.074 23.166 38.172 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 3.546 2.176 0.716 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 -8.098 -15.996 -11.261 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 -0.498 16.573 7.263 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 0.809 0.759 0.796 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 -9.707 2.159 5.756 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 -51.008 -0.479 8.482 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 2.335 5.266 0.857 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 1.289 4.180 6.748 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 6.310 0.675 -8.692 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 0.877 -3.383 4.884 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 2.459 -6.497 6.887 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 -19.689 17.232 -0.752 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 2.266 0.940 7.584 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 -11.109 5.360 -18.420 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 -7.494 4.366 -15.935 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 10.626 0.775 -1.509 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 20.875 -17.548 1.380 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 6.697 7.360 23.954 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 4.298 0.491 5.249 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 11.416 3.159 -9.240 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 -9.489 -28.231 43.361 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 -5.008 -0.779 3.520 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 -0.051 -27.078 5.815 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 11.997 -15.130 12.215 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 -4.050 -0.244 -0.442 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 -8.050 -1.311 -6.595 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 -9.239 -12.047 1.142 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 -2.456 4.228 1.781 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 -11.615 2.537 8.313 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 19.743 4.415 4.342 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 -6.976 3.026 3.044 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 15.035 10.942 -0.752 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 -2.519 -4.174 9.938 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 10.094 -0.536 1.201 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 9.261 -28.317 4.481 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 6.594 -31.059 4.216 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 -3.526 -0.025 2.674 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 4.069 -9.484 -15.466 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 5.335 -9.083 8.691 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 -1.797 -3.934 1.983 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 -8.788 -1.417 6.296 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 -28.469 14.358 -2.102 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 -3.011 4.641 4.822 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 19.044 15.403 6.036 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 -1.472 1.924 2.108 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 -4.134 1.596 5.324 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 0.148 2.024 9.109 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 8.500 1.900 19.390 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 -6.620 -5.084 3.980 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 -5.255 -9.170 -11.438 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 0.748 -1.171 6.005 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 4.134 -15.235 -2.207 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 -14.389 -1.648 -0.202 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 8.064 4.994 20.864 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 1.444 0.842 -6.378 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 11.144 2.781 -12.155 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 4.751 -0.771 3.744 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 1.471 2.390 -0.424 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 -8.679 -3.922 22.113 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 2.147 -9.085 -3.379 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 8.604 -3.042 9.036 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 0.806 -3.593 1.689 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 16.395 8.971 12.055 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 -2.569 -5.361 1.803 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 9.822 1.807 -0.965 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 -21.339 -5.656 14.941 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 -3.845 7.989 -4.332 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 14.464 12.850 9.974 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 9.412 10.837 6.831 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 6.848 3.530 -7.913 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 3.124 -0.425 0.059 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 3.201 -9.214 -1.371 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 -0.103 -6.061 0.159 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 -9.189 -6.146 9.382 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 10.871 -15.168 -10.388 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 -5.147 -1.991 2.757 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 7.402 -3.780 -2.347 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 10.643 -8.765 3.093 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 1.181 -6.054 2.368 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 -5.981 1.602 6.400 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 10.442 -10.157 14.923 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 -1.312 -2.740 -2.491 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 -17.615 -3.290 9.052 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 13.436 16.994 1.457 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 0.481 -6.279 1.162 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 -4.368 18.027 12.498 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 10.205 0.161 -17.353 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 0.169 2.447 7.113 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 27.946 16.860 -29.274 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 -45.627 5.885 -8.287 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 7.634 0.339 3.207 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 -18.687 4.703 -12.295 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 -3.274 13.023 24.159 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 4.186 -2.936 1.638 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 -11.233 -6.449 -16.078 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 14.401 -22.678 5.438 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 12.704 3.152 5.757 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 12.258 -1.237 8.111 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 0.527 -1.388 7.805 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 -3.141 1.915 1.418 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 5.358 -1.618 5.570 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 -7.878 -3.605 -7.442 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 -0.679 -2.511 -1.933 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 9.044 -3.274 -0.828 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 2.598 1.901 3.243 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 2.377 -2.710 1.335 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 1.508 -3.482 -8.866 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 -0.825 -3.709 -3.007 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 -3.384 -6.996 -0.729 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 28.808 -2.608 -18.982 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 -21.541 -11.356 9.658 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 -1.065 -2.930 -2.430 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 5.245 -1.344 -5.184 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 28.244 2.979 -11.024 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 4.852 0.804 -2.043 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 -13.154 1.837 1.079 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 6.612 11.268 12.036 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 -0.008 0.929 4.451 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 1.935 12.785 -7.023 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 0.827 20.964 -23.474 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 -1.810 -1.022 -3.530 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 20.948 22.153 5.554 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 -14.625 24.910 -29.371 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 -5.102 1.957 7.530 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 6.272 -3.246 6.292 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 5.363 -8.170 -3.913 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 -2.095 0.874 -7.138 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 -2.756 0.162 -7.078 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 5.715 -0.368 -1.861 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 5.572 2.995 -4.330 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 6.656 -10.413 -5.164 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 3.761 12.105 -2.742 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 5.891 -0.592 0.027 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 4.992 1.619 11.546 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 1.807 3.548 23.810 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 0.143 4.116 -0.787 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 2.699 -2.886 -4.946 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 5.548 -8.130 -6.262 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 4.781 11.155 1.031 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 -4.837 18.894 17.599 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 -1.253 5.900 -19.052 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 2.972 -6.016 -0.856 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 3.364 -13.171 3.029 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 15.225 -1.071 13.439 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 -2.068 5.110 5.407 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 15.816 4.923 -7.371 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 -7.024 -12.712 -13.882 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 -4.726 2.501 -2.678 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 -0.893 6.536 -5.845 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 4.451 8.809 -9.701 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 -1.156 3.650 2.285 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 -1.429 -5.383 12.844 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 -4.856 -10.417 -5.823 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 6.445 -3.898 0.450 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 4.566 5.734 0.461 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 -6.927 -3.339 16.752 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 -6.019 -0.546 -0.659 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 5.526 -23.543 18.451 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 -32.923 13.746 -10.212 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 2.158 1.419 2.420 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 -1.734 4.481 0.264 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 -7.719 -6.519 -5.444 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 -0.663 2.521 -2.926 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 3.240 23.792 -23.695 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 -11.279 -15.571 7.236 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 -0.608 -0.407 2.163 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 -8.813 -9.582 13.693 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 22.283 -2.489 19.919 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 0.537 6.662 -0.872 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 14.160 15.683 -13.968 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 -7.089 -13.645 12.527 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 -1.610 -1.131 -0.232 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 -41.816 -14.357 2.297 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 38.747 10.597 -0.205 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 3.346 2.103 0.438 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 -4.331 9.542 -6.406 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 5.026 11.359 -1.586 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 -3.848 -1.024 -0.741 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 -1.430 -13.330 -12.139 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 2.732 -1.506 -3.167 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 -2.576 -10.295 0.408 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 -20.766 -3.095 0.985 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 7.950 -1.467 15.623 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 -2.181 3.405 0.489 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 5.411 22.400 -2.523 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 -8.860 -16.547 17.364 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 4.470 -2.293 4.022 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 16.683 2.587 -11.016 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 -12.481 2.928 4.739 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 0.098 -0.024 2.983 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 -14.978 -9.559 -8.284 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 -3.214 6.405 -21.956 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 -0.502 4.692 3.316 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 0.027 0.644 11.484 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 -15.179 -1.962 0.688 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 2.067 2.949 4.760 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 -1.672 27.992 25.786 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 7.120 -6.684 4.653 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 -3.920 0.327 4.881 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 -1.471 -4.953 11.621 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 2.928 5.139 0.453 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 5.448 -0.718 -0.540 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 4.325 11.403 -1.598 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 3.332 7.001 -4.622 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 -1.360 -4.169 5.626 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 -12.763 -14.667 28.780 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 -9.148 26.907 19.135 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 0.836 0.397 -3.731 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 8.167 4.171 -5.751 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 7.154 -11.121 -17.774 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 5.511 -0.049 6.793 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 -6.754 -7.483 20.582 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 -4.053 4.882 -7.943 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 0.705 -4.319 2.936 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 7.306 4.638 -19.456 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 -8.373 9.233 15.724 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 6.586 -2.031 0.697 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 5.989 -8.490 5.213 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 9.810 -18.250 11.528 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 0.155 5.667 -1.488 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 1.938 2.815 -0.560 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 3.868 4.031 -1.343 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 -0.181 3.423 -9.653 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 2.290 3.741 -11.491 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 -10.370 4.826 -8.987 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 -6.184 -6.058 -0.856 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 -11.581 29.750 17.291 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 -4.993 28.982 42.497 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 3.128 -2.649 -0.328 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 1.491 -16.261 -2.022 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 4.480 -8.700 15.535 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 -2.465 -5.353 5.467 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 4.784 14.937 14.754 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 -0.572 -15.224 3.724 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 -2.746 -6.704 3.192 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 3.683 -9.546 14.270 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 -11.199 6.772 -17.451 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 -3.878 -0.662 -4.521 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 28.290 7.876 6.412 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 7.236 -18.317 -15.495 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 2.704 0.110 3.954 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 -3.211 3.274 -10.268 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 -3.508 9.559 -20.123 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 1.832 -4.189 -0.182 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 -2.600 -5.673 11.741 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 -3.070 -8.927 -8.942 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 -11.466 2.521 7.916 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 -9.073 3.145 2.532 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 -14.061 0.217 20.714 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 -3.873 -4.201 -1.587 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 -1.751 -3.588 -1.663 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 -0.182 17.390 -18.764 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 0.242 9.673 3.332 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 -31.954 16.375 -30.428 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 -3.187 10.766 0.307 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 -4.465 0.544 11.966 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 -5.908 1.105 -2.564 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 -3.372 -3.149 1.323 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 -6.955 -5.975 1.455 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 -10.967 31.035 -4.935 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 1.020 -12.400 -4.275 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 -2.728 4.085 2.984 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 -17.775 -4.717 -19.646 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 2.047 9.511 -9.901 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 2.060 0.341 -2.534 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 -4.967 -12.365 -5.954 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 -7.762 26.344 15.092 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 -1.127 4.880 6.896 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 0.434 -5.822 -6.125 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 9.566 -20.055 -12.422 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 0.220 -2.604 -2.474 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 -8.074 -10.454 -16.598 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 10.781 -8.808 5.720 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 0.049 1.051 5.254 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 14.608 9.872 -12.378 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 -14.467 -16.038 1.912 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 0.039 2.167 -5.849 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 -16.989 10.937 -1.758 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 5.394 13.975 -13.345 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 -1.325 3.455 1.231 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 -3.671 0.364 -0.314 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 2.129 14.401 1.296 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 5.063 1.069 -0.525 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 1.748 8.928 -11.010 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 7.906 5.791 3.250 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 0.494 3.139 -7.307 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 10.126 1.856 4.942 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 -10.937 -14.504 -11.261 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 -3.139 8.594 4.795 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 -3.495 -6.980 3.727 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 8.952 10.021 11.975 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 2.774 7.288 3.094 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 10.871 6.004 0.225 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 -13.200 2.014 15.922 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 -3.336 -3.991 1.178 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 5.023 -10.717 2.578 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 8.131 17.760 10.211 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 -2.515 2.512 6.702 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 -2.446 7.920 6.448 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 -5.380 -14.163 21.433 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 -0.317 1.041 -1.247 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 2.831 -16.186 -1.042 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 -9.582 4.043 7.378 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 2.652 0.926 3.233 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 31.116 -7.774 3.339 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 15.534 -9.984 -2.631 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 -7.044 -5.228 -0.844 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 -15.293 4.224 15.648 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 -9.432 5.346 8.093 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 -1.658 -3.866 -4.235 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 1.192 -4.681 -1.043 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 1.866 23.176 17.353 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 0.238 -1.033 3.968 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 2.486 -11.206 2.659 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 -12.431 -13.386 -11.533 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 0.973 0.448 -4.503 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 1.820 2.680 -4.719 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 0.094 1.222 -1.076 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 0.802 1.880 -1.755 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 4.505 -3.928 12.571 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 0.964 10.088 -15.898 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 1.834 -0.717 -1.923 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 18.803 -18.373 7.614 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 -20.100 -17.307 0.163 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 -3.465 0.561 8.777 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 -7.458 -9.524 -7.237 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 6.803 -3.206 23.317 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 3.808 -3.433 0.668 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 16.053 7.161 15.148 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 -1.186 3.056 -6.195 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 -3.031 -0.831 -1.055 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 -2.689 0.455 -0.708 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 3.824 -0.070 1.351 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 -3.969 -2.206 9.408 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 -13.181 -17.942 -10.483 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 21.631 -0.701 5.109 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 -8.452 -4.861 2.751 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 -16.023 10.615 7.353 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 -15.904 -19.045 -0.116 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 -0.678 1.814 -1.748 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 -12.601 7.170 -1.918 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 -9.631 5.120 -1.496 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 -0.049 2.989 5.928 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 21.130 2.520 12.621 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 1.120 1.745 7.174 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 -3.197 0.320 -7.053 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 2.948 -30.002 1.964 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 -0.940 22.431 -12.530 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 4.554 -0.783 7.747 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 -3.442 -3.646 8.498 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 -18.648 2.225 -28.126 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 0.907 -5.207 -6.411 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 -13.732 -22.793 6.772 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 25.112 -5.868 -7.185 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 3.208 -0.606 -4.546 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 8.607 19.913 -3.943 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 -1.396 -4.943 -16.682 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 4.598 5.810 5.981 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 -4.744 -17.572 -7.199 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 -2.902 1.113 3.915 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 -0.666 -0.308 4.560 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 6.055 -10.738 10.431 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 13.158 2.928 3.964 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 0.973 1.064 4.990 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 4.522 -4.289 1.952 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 6.630 -3.982 6.569 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 2.722 -4.645 3.452 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 -24.072 -3.612 17.155 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 3.772 -10.011 -5.912 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 3.993 -3.384 3.235 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 -19.340 19.951 9.193 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 8.959 -0.152 -9.053 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 -2.110 1.580 -2.033 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 2.730 22.772 -7.704 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 17.525 -3.737 -6.042 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 7.734 -0.319 1.925 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 16.552 -14.671 -15.850 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 -8.252 12.163 -8.811 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 -1.031 6.972 -2.534 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 24.690 14.258 7.324 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 1.376 -19.128 -0.574 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 1.037 -4.441 -5.150 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 -17.055 2.794 -9.975 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 -7.816 -0.938 -7.812 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 -1.399 0.003 -11.822 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 -4.660 3.754 -20.631 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 -5.743 -6.785 -7.609 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 -4.665 5.769 -5.419 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 10.270 13.054 20.968 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 -11.744 4.515 -4.231 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 3.928 1.401 1.596 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 19.332 -10.441 0.383 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 -13.046 -12.782 6.978 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 2.403 -9.597 -2.036 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 -0.261 14.612 11.773 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 2.176 0.997 1.841 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 -0.657 1.500 0.675 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 -7.029 16.854 -0.954 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 -0.088 -3.519 5.723 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 -1.155 0.587 2.486 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 -4.151 -2.540 12.167 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 -5.015 -6.471 -3.993 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 -0.013 4.520 1.955 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 2.461 -6.624 1.959 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 0.807 -2.183 17.675 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 0.106 -0.785 -6.396 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 -5.422 0.245 -13.601 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 3.891 8.236 5.798 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 1.913 -1.175 2.514 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 -3.036 9.128 4.017 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 -10.129 19.699 4.146 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 8.211 0.602 2.905 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 -10.645 -7.810 9.413 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 13.064 10.842 2.749 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 2.476 -1.789 1.550 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 0.613 -10.061 11.384 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 14.331 -2.069 11.563 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 4.439 3.431 4.383 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 21.762 3.324 15.068 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 3.432 22.387 13.793 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 -7.756 4.679 -8.658 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 -19.384 -8.434 -3.812 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 2.900 15.383 6.371 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 7.925 -0.462 0.545 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 3.181 -2.358 8.527 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 6.645 -0.697 2.612 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 0.312 -5.194 1.079 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 17.682 -1.948 -14.742 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 -3.848 -4.557 -2.787 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 2.559 5.348 -2.390 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 10.000 8.029 -2.269 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 -12.038 -3.519 -5.532 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 3.672 2.824 -2.602 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 -8.595 4.066 21.889 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 25.804 19.286 2.225 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 0.294 -0.669 4.388 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 0.200 10.833 14.336 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 -19.720 17.764 0.150 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 -2.775 -2.355 -0.921 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 5.387 -15.163 9.725 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 -23.181 -4.382 5.879 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 -3.767 3.026 9.510 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 13.077 13.113 5.926 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 -7.568 15.255 14.076 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 -4.070 5.666 2.367 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 -8.816 8.452 7.325 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 8.197 13.384 -12.275 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 -6.381 9.686 -2.301 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 -13.617 8.451 -1.909 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 -4.670 8.646 -3.482 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 0.884 -1.531 5.294 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 2.231 2.874 10.862 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 4.006 1.305 9.595 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 -2.297 3.982 -0.116 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 12.971 -13.494 4.769 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 5.969 -13.755 -9.208 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 -3.348 -0.183 6.476 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 -10.032 -0.547 0.753 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 -16.456 7.495 -28.274 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 4.983 3.690 -7.464 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 -1.121 -9.487 -5.774 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 -6.110 -0.851 6.638 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 1.507 -0.107 -2.623 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 11.131 -1.010 6.188 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 -2.844 4.692 -4.412 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 3.702 -6.835 2.808 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 -5.936 -1.404 0.997 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 0.811 -5.377 6.302 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 -5.018 0.485 5.582 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 -5.269 -9.655 -8.695 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 -17.868 14.715 10.964 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 3.006 3.683 2.083 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 -8.928 2.115 -36.785 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 3.886 3.363 7.767 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 -3.550 6.879 -2.541 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 2.578 13.377 -2.689 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 2.880 1.871 -12.612 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 5.406 0.218 -2.233 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 2.654 -8.394 -3.662 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 7.251 8.122 -12.669 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 1.004 2.262 -1.412 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 -9.437 -2.189 -10.575 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 -12.967 -5.162 -8.276 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 5.283 -0.213 -0.109 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 6.274 -0.617 -0.225 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 3.289 5.820 -8.729 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 -0.738 1.024 3.641 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 -14.642 4.578 -9.992 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 -9.530 10.922 -6.833 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 2.228 3.512 3.984 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 18.735 8.309 5.808 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 2.180 -12.173 10.768 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 -0.048 -10.453 -0.305 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 -8.816 -20.753 0.466 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 -1.917 18.850 -18.216 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 1.337 0.353 -0.539 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 -1.150 13.709 -9.106 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 3.429 6.124 -3.061 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 1.243 8.670 -4.487 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 -8.148 16.048 2.108 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 -12.735 17.316 -0.715 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 2.519 3.775 0.772 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 7.173 -26.643 -23.583 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 3.443 35.129 -3.841 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 -2.115 -4.707 -2.134 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 2.421 -6.830 0.472 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 -22.609 3.279 -3.996 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 5.526 -0.871 1.228 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 -15.927 -6.517 0.852 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 15.880 2.583 2.834 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 2.169 -2.380 -2.077 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 -13.064 6.691 -13.087 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 -19.327 -6.163 4.445 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 -4.563 -7.852 5.399 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 -6.975 -22.947 7.357 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 -14.690 -0.041 -2.368 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 -0.071 0.478 2.111 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 -16.980 1.394 11.696 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 -5.598 3.497 -12.823 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 7.232 -2.618 -1.271 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 7.104 2.330 -5.524 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 0.491 -2.804 2.330 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 -0.367 -3.901 2.787 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 15.202 -16.850 -12.007 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 -12.696 -10.488 -6.498 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 3.779 -5.886 9.976 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 -12.126 -7.055 3.942 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 -23.977 1.127 1.803 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 0.053 3.220 -5.487 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 9.873 3.959 7.363 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 10.508 6.088 -21.574 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 8.222 3.525 1.331 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 9.823 1.499 7.103 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 5.631 -2.784 0.216 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 7.412 7.295 -3.768 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 -8.768 -8.997 -15.174 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 -17.004 6.609 1.332 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 5.084 0.631 1.184 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 10.277 -12.496 1.153 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 12.793 8.230 3.974 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 -1.324 -0.980 -0.129 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 -1.965 -4.352 -0.940 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 16.802 -2.629 10.868 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 -6.287 0.192 0.171 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 -7.360 -5.399 13.034 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 0.365 -14.411 16.447 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 0.423 4.165 9.426 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 6.345 16.870 13.245 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 10.499 -6.904 13.561 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 -1.330 1.142 1.199 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 -9.445 -4.470 -13.730 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 18.794 0.382 16.601 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 -2.094 -0.518 -2.838 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 -15.209 -0.604 5.206 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 -13.028 -0.707 -13.185 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 -4.026 3.219 -4.735 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 -7.217 -0.728 -0.192 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 6.176 -2.170 -4.957 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 4.266 -5.099 0.179 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 5.500 -6.703 -1.591 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 16.145 -13.872 -14.925 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 3.002 1.584 0.873 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 4.951 3.975 6.899 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 4.971 2.393 -4.115 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 1.085 -1.978 -4.974 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 2.410 -16.289 -0.597 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 -2.457 0.636 -11.492 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 3.107 -5.111 7.992 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 -6.429 15.929 30.964 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 16.071 -2.943 1.920 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 5.355 -0.323 5.312 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 12.200 -7.697 19.318 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 -1.250 -18.618 9.574 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 -4.646 -0.410 -0.346 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 -19.050 -3.726 -12.270 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 -4.162 28.363 -4.002 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 3.169 -1.235 -4.024 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 -4.736 6.546 -27.154 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 5.690 9.374 14.087 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 0.182 1.324 2.467 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 7.191 7.237 -2.235 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 5.152 4.767 -0.510 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 -2.530 -2.926 -0.920 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 -10.360 -15.840 -3.351 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 7.127 6.596 1.091 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 -2.629 -2.097 1.301 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 4.390 1.468 4.127 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 17.755 5.160 10.364 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 -0.087 -2.076 1.296 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 4.459 -5.553 5.563 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 5.761 -8.712 -20.761 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 4.124 -3.204 -5.803 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 18.447 -2.822 -0.943 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 2.043 8.604 -11.980 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 -0.783 4.241 -3.924 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 -1.825 6.665 -4.685 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 -4.409 3.996 -3.519 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 4.123 6.271 5.407 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 13.209 23.143 2.673 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 17.959 13.756 7.918 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 2.265 1.101 2.990 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 2.795 -13.506 16.994 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 10.863 3.032 -0.971 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 -12.065 6.017 -5.491 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 -15.819 15.784 -4.242 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 -11.060 9.538 -8.997 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 -4.279 -1.435 0.537 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 10.938 -10.046 1.431 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 2.838 -3.762 10.846 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 6.494 -4.023 -0.539 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 6.241 -22.080 -17.819 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 -35.148 18.861 4.893 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 -3.645 -1.615 1.542 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 -2.403 -3.876 2.060 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 -0.027 0.789 1.805 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 -4.033 6.644 4.190 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 12.577 2.784 19.813 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 6.114 0.851 12.596 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 2.307 -0.486 -1.189 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 14.604 -19.440 -27.880 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 7.830 -8.066 14.104 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 0.237 -3.132 0.916 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 -3.693 1.529 -2.869 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 6.444 -22.616 13.192 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 -1.374 3.169 2.763 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 20.729 7.796 0.917 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 10.582 1.779 9.103 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 -0.484 3.887 0.623 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 7.160 -26.255 -12.015 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 9.891 19.313 -18.264 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 0.030 -7.641 4.456 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 7.135 -20.374 2.150 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 6.688 -9.976 1.045 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 -0.218 1.889 1.484 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 8.006 3.349 -19.020 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 21.111 -5.230 18.005 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 -5.612 -1.678 -4.191 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 -10.488 -0.151 -7.083 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 3.867 -4.218 2.526 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 -3.211 1.027 -3.502 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 8.547 -5.347 -4.216 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 1.877 0.731 1.634 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 -0.402 0.176 4.461 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 -13.861 -1.514 -17.605 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 -5.792 18.609 17.217 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 -0.281 8.092 1.668 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 9.823 -13.949 -3.631 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 34.369 12.283 -24.752 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 -6.670 -7.320 3.230 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 -4.474 2.827 10.115 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 -5.502 6.411 -15.206 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 -2.704 -4.639 5.504 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 -1.639 3.352 -5.259 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 -3.153 -13.899 3.292 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 5.391 1.603 0.459 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 -6.036 6.019 -14.777 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 14.442 -9.333 -7.938 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 -2.256 -2.661 3.220 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 1.077 -3.348 -6.994 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 -21.316 -0.880 15.193 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 -6.153 -5.034 1.574 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 -13.756 -4.693 10.272 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 -8.375 -14.255 -12.432 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 -1.772 0.298 5.198 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 2.943 1.937 0.431 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 -1.901 5.597 2.042 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 -2.037 -6.326 0.473 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 14.257 -14.762 12.875 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 -15.080 -11.144 -6.459 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 -0.219 2.893 -0.499 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 -4.630 -6.458 -25.564 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 -2.871 9.823 7.156 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 0.919 -3.629 0.560 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 11.929 8.264 4.090 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 7.014 -19.724 -7.128 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 -2.830 -9.354 -7.982 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 7.249 -6.761 0.937 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 -25.774 -2.892 -19.174 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 7.122 4.257 -0.618 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 4.636 -15.913 0.403 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 10.626 -6.909 0.956 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 -4.094 -2.841 -0.391 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 -7.244 -20.321 -4.077 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 -3.734 -11.713 -5.180 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 -8.024 -3.110 -5.993 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 -4.630 -3.181 0.720 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 -13.699 -14.203 -4.262 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 4.129 5.137 1.121 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 1.551 15.587 -0.649 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 1.428 3.155 -7.048 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 0.192 -3.893 -3.894 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 6.565 -13.590 -5.390 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 -2.710 -2.487 -4.498 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 4.398 9.308 4.770 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 9.205 19.884 -0.403 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 -1.847 -10.443 10.557 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 4.997 -5.522 -10.045 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 3.386 -4.941 7.672 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 -19.088 -11.787 4.220 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 2.140 -1.211 -0.297 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 -4.571 3.912 5.219 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 2.121 -0.113 7.297 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 -8.731 -1.754 -1.068 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 -6.475 -0.583 3.363 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 3.257 24.353 13.184 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 -4.509 -0.104 -4.750 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 -5.606 -0.378 -36.105 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 5.955 -4.322 2.771 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 1.082 -5.855 -5.551 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 -24.425 17.028 4.709 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 12.593 -17.812 -5.426 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 6.363 7.223 -2.199 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 2.359 6.679 -12.675 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 -8.551 8.408 -5.602 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 2.310 0.530 -0.964 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 -18.161 11.950 10.079 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 0.244 9.802 11.992 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 0.882 7.241 -1.185 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 -4.461 8.530 -14.616 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 9.326 -1.157 1.527 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 0.981 8.638 -6.189 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 8.930 22.104 2.125 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 2.344 11.243 -2.929 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 -5.815 -1.369 -6.666 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 -13.584 -5.077 -12.456 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 -2.198 -4.420 -6.168 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 0.951 -1.307 3.012 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 7.483 -5.582 -8.622 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 1.331 -1.565 2.240 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 -1.090 -1.474 -1.066 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 -15.887 18.968 -18.548 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 -13.536 -13.740 8.721 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 3.205 -0.276 -6.748 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 2.533 7.076 4.567 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 9.388 1.546 -5.794 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 -0.849 -3.260 -2.607 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 -8.512 -10.801 26.463 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 -21.068 -23.386 -18.685 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 -4.379 -6.358 -1.985 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 -5.695 -13.528 5.755 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 -3.905 9.606 -22.312 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 3.442 -1.132 2.297 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 -3.017 7.861 13.478 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 6.571 -13.811 10.169 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 7.875 2.300 -2.809 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 18.000 7.185 -8.266 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 -18.116 -8.536 10.677 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 -1.716 -6.841 0.146 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 -11.091 -15.312 1.118 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 -17.917 -16.879 -6.472 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 2.868 -2.540 4.107 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 7.689 1.209 -1.804 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 -7.013 -9.296 -7.771 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 9.885 2.822 2.253 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 7.840 2.959 -2.144 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 -5.371 8.376 13.841 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 5.377 3.606 0.192 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 24.117 -13.756 12.093 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 -5.258 -14.876 1.544 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 -2.348 1.088 -3.095 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 9.924 -16.168 9.890 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 22.871 -19.785 -2.294 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 -4.714 3.946 2.421 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 -0.760 -5.187 0.352 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 -3.391 17.780 5.662 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 5.388 -5.599 0.907 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 8.360 -38.057 10.637 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 -6.140 5.460 4.450 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 -2.679 1.587 -2.774 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 10.981 0.820 10.877 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 -2.490 24.108 -5.939 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 2.117 1.758 -0.346 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 -3.101 4.319 0.398 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 -14.775 17.970 10.349 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 -4.460 -3.138 -0.759 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 -12.509 6.827 -9.404 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 -14.716 -10.305 4.591 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 -0.364 2.093 -2.281 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 -7.672 11.483 13.445 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 -15.239 -3.500 17.265 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 9.128 1.190 -6.445 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 10.131 5.852 20.159 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 9.456 0.935 -7.921 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 3.073 -0.817 -4.447 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 -5.801 6.466 -2.102 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 13.854 -1.099 -1.405 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 -2.114 7.668 -2.806 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 -14.039 10.352 17.713 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 -8.500 7.985 3.016 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 -1.065 -2.199 -3.342 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 -1.733 -5.179 -7.485 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 -1.950 -8.618 -8.737 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 4.810 2.744 -2.560 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 20.895 9.584 -0.157 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 -2.518 -9.892 3.089 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 2.364 2.961 -2.994 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 17.493 -9.812 12.564 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 13.308 18.364 -19.680 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 -0.427 10.760 -4.266 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 -5.885 31.308 -16.764 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 -1.817 6.390 15.945 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 -2.388 -6.221 -1.988 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 -10.699 -18.248 -16.954 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 3.804 -6.454 13.838 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 -3.263 -1.221 -2.271 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 19.602 -4.452 7.925 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 -0.160 8.376 3.902 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 4.002 3.334 -2.402 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 0.007 9.660 -5.341 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 2.240 1.835 10.452 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 -9.404 -4.179 -0.796 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 0.890 3.415 -1.344 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 8.915 26.998 7.473 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 -1.377 0.566 11.753 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 -12.813 -3.707 29.849 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 -14.700 -14.467 20.992 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 0.597 -3.765 -8.268 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 6.140 10.749 -9.455 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 17.146 -27.981 -0.448 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 1.842 -9.466 -2.422 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 -2.625 -7.902 8.870 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 -0.182 -21.733 -0.175 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 1.980 2.532 3.061 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 6.190 5.757 7.299 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 -0.805 3.167 -6.607 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 -3.765 3.448 4.815 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 -5.724 14.840 -2.920 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 25.014 -9.412 3.889 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 5.799 0.024 1.830 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 5.639 -0.809 0.671 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 9.120 2.576 0.789 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 -4.340 3.494 1.275 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 7.121 12.879 0.939 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 -12.000 14.387 -9.138 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 -0.959 0.589 -1.379 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 17.510 23.669 13.286 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 -5.971 10.910 -7.796 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 0.873 -4.259 -2.819 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 17.871 -4.382 8.278 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 8.779 -5.034 -24.430 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 -2.977 -2.413 -2.050 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 -2.125 -14.471 0.427 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 -4.129 6.001 -2.169 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 2.582 3.316 -9.398 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 3.939 13.594 -13.839 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 1.922 0.100 -8.522 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 -0.352 -0.261 -1.498 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 -9.413 -8.119 -0.502 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 24.984 -18.079 -9.703 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 6.155 -1.618 7.843 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 4.461 -7.142 4.922 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 5.992 20.548 -0.455 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 -0.823 -2.088 -0.012 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 2.611 -1.848 15.833 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 1.938 -13.287 30.330 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 -5.661 -3.156 -0.316 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 -14.253 16.925 -0.469 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 -3.270 -4.798 -23.187 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 2.304 5.769 1.278 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 -0.994 -0.206 1.649 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 -3.455 -4.545 1.786 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 -1.128 6.203 -2.818 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 8.934 -1.222 -4.344 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 -16.554 -8.513 -12.643 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 -0.246 -0.624 -5.455 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 -6.664 -15.588 -9.616 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 0.437 2.146 -19.357 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 -3.791 -2.410 -5.763 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 0.142 14.335 -0.961 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 -1.541 -16.399 -0.778 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 5.103 -0.236 -0.710 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 20.678 -2.586 -6.138 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 -7.756 -4.383 -17.029 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 0.022 0.724 2.553 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 11.201 9.273 9.142 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 3.571 -6.233 -2.743 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 5.822 3.221 -9.111 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 11.423 -5.739 -9.639 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 -9.343 2.698 -17.846 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 -3.602 -4.940 -5.139 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 -8.116 2.589 -13.636 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 3.709 -5.704 -20.174 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 4.794 -1.906 -5.326 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 -5.021 -16.750 -13.676 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 -7.482 13.396 -30.206 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 -2.293 4.371 -7.073 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 -4.330 14.187 -16.648 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 -8.239 -0.726 -13.392 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 7.386 2.440 7.682 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 -6.843 17.843 8.145 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 -1.820 -9.896 3.517 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 -5.504 8.266 -2.626 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 28.774 -35.280 -14.813 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 0.194 -4.081 -3.584 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 0.546 1.813 1.206 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 -26.041 13.254 9.592 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 6.722 6.258 4.216 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 1.299 -0.436 -1.349 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 4.866 -31.306 -20.913 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 -7.687 6.721 -4.940 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 5.887 -4.391 0.805 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 13.926 0.602 1.572 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 -7.159 1.567 -0.429 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 3.382 0.632 3.889 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 5.245 -0.746 11.882 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 10.379 1.967 -0.274 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 0.626 2.422 -5.669 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 2.176 -2.933 -5.128 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 6.346 -10.994 -2.440 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 -5.351 0.157 -2.493 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 2.969 -4.917 7.368 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 -1.821 -2.559 6.686 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 0.685 -6.222 0.745 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 -11.702 3.152 -19.584 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 27.304 0.291 -2.385 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 -4.381 -5.601 -3.073 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 0.807 -9.887 11.285 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 14.391 12.965 3.121 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 -2.573 10.150 0.707 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 5.413 16.364 4.189 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 -10.172 0.281 -29.615 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 6.170 2.613 -5.510 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 4.288 22.774 21.185 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 1.728 1.244 2.540 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 -3.227 3.728 -0.486 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 -0.808 1.346 -4.117 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 -2.432 -2.681 3.348 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 -1.566 -1.853 -0.201 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 -8.573 12.311 -1.393 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 -16.721 -12.631 13.590 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 0.696 5.347 5.210 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 -17.295 23.490 -17.415 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 -12.749 -2.416 30.783 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 -2.551 4.234 0.306 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 4.587 -14.890 -9.209 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 0.501 -5.157 -3.401 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 -2.101 7.866 5.407 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 -8.906 -8.833 15.136 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 -4.517 2.558 -2.166 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 -5.546 2.407 -3.465 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 -13.955 2.906 7.884 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 -4.025 6.455 -12.507 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 3.204 2.223 4.051 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 6.476 21.366 26.028 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 6.944 -15.599 15.327 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 4.682 2.489 -2.146 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 8.880 15.337 6.431 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 10.364 1.034 9.835 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 -0.550 3.511 12.263 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 -9.809 -7.918 7.450 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 13.125 -2.541 10.956 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 0.182 8.030 -2.728 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 -2.477 15.073 11.251 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 -26.042 2.101 -13.828 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 -2.197 3.497 -4.547 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 31.205 -15.534 -2.313 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 11.200 11.741 -11.510 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 0.245 -4.346 9.223 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 -21.145 -25.631 -11.764 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 -8.989 13.387 -20.579 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 -5.988 2.536 1.802 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 1.936 -4.357 8.707 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 -1.546 -1.316 6.076 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 -0.671 -5.115 2.163 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 -4.603 -5.034 26.729 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 10.557 14.525 -3.489 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 -5.788 -4.276 -5.751 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 -28.499 -24.047 8.016 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 24.126 -21.329 3.778 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 -1.900 3.083 0.987 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 2.124 -0.196 5.500 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 2.416 5.485 -3.602 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 0.435 -1.817 3.332 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 3.288 1.046 -38.560 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 0.536 1.022 -5.783 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 -5.190 1.022 -1.100 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 -2.033 7.040 -2.358 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 6.496 14.641 13.502 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 -1.618 0.357 -6.155 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 -10.377 -19.051 -18.297 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 -5.162 6.717 6.994 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 0.787 10.587 -6.633 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 3.441 3.593 -4.395 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 -4.015 19.715 -11.667 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 2.520 -6.513 7.018 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 -2.471 14.260 9.058 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 -13.923 -9.816 -18.030 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 8.331 1.683 -1.272 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 -2.843 15.388 10.035 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 23.074 -14.690 -14.870 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 4.469 8.210 2.238 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 11.469 -6.490 10.315 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 -7.332 38.010 14.906 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 2.190 1.746 -1.763 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 -3.190 26.560 -17.574 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 23.123 -8.474 -1.481 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 -3.314 -3.451 -4.047 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 2.473 17.020 -12.273 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 -0.373 4.193 16.946 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 -4.529 5.476 -15.670 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 -0.559 -9.505 -30.236 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 -7.478 8.468 -35.051 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 3.234 0.614 -0.640 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 7.890 -3.865 -0.537 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 1.873 6.139 -1.801 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 -5.718 -2.833 -1.540 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 2.046 4.477 -1.605 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 7.990 5.743 -9.638 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 4.708 6.640 0.376 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 2.677 -17.750 0.255 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 0.715 -9.602 -0.923 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 2.760 0.648 3.363 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 3.386 2.122 -11.583 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 12.189 10.774 -20.050 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 -6.206 1.982 -2.625 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 18.489 10.144 -4.537 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 -5.323 -21.884 -10.520 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 3.199 -2.942 6.989 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 8.406 6.830 12.514 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 9.202 19.113 -5.244 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 1.028 0.516 -2.021 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 -1.945 -1.649 -12.302 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 7.058 -3.214 3.288 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 1.508 1.386 -3.181 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 -1.116 3.967 -6.114 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 8.322 8.791 -4.267 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 -0.721 4.675 0.207 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 -19.422 -13.400 -6.239 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 -32.420 5.647 12.774 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 1.724 -2.493 -0.217 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 -1.507 11.222 5.698 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 -4.934 -11.183 10.657 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 0.025 2.264 -1.626 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 7.086 -1.609 -3.569 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 -16.048 13.501 2.500 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 -4.974 2.655 -0.911 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 -28.742 21.951 -19.027 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 -4.147 0.607 0.110 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 5.458 6.937 -2.215 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 11.128 15.285 5.192 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 0.758 0.773 -7.095 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 -2.501 7.165 -5.719 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 -14.672 8.433 -23.791 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 10.269 -1.320 -4.640 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 8.054 2.772 7.111 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 -5.026 -7.382 7.881 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 19.183 -26.887 -13.907 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 0.365 3.189 1.445 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 8.445 15.589 9.837 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 -5.884 -10.941 -3.695 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 1.212 -6.220 -2.049 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 12.912 -12.294 13.708 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 0.358 4.182 -20.297 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 0.678 -2.558 -3.911 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 23.963 -7.332 5.171 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 26.161 -5.460 9.623 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 -4.072 0.510 -5.668 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 5.515 -14.423 -14.660 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 -16.857 -1.065 6.839 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 3.445 1.926 -0.851 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 19.527 15.886 -0.249 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 -9.637 -7.297 -2.353 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 -5.838 -3.210 0.734 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 -2.689 -30.167 -22.949 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 -10.451 27.579 -10.864 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 5.493 8.442 2.588 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 -5.343 6.955 -13.402 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 5.012 1.946 6.496 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 -0.869 1.005 -4.649 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 1.427 8.288 2.281 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 23.352 -3.082 -7.042 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 1.839 1.532 1.314 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 14.654 -16.367 13.488 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 -27.456 32.903 -1.835 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 -1.617 -1.450 -9.143 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 11.744 -0.883 -2.346 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 -15.687 -17.270 -9.487 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 1.234 -3.080 3.160 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 12.168 -6.077 -5.113 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 7.067 -4.981 4.477 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 -2.756 3.473 -0.588 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 -7.201 -20.187 -12.944 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 14.104 19.567 19.504 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 11.579 0.789 0.894 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 10.681 -2.683 17.403 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 10.414 4.108 -13.757 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 4.537 -3.277 0.389 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 7.249 -8.700 8.247 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 1.223 -4.730 -11.339 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 0.843 1.659 -9.713 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 -14.063 13.821 9.112 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 24.777 -10.833 -10.625 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 5.965 1.009 -5.441 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 11.885 -21.942 -5.869 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 -2.478 -11.824 -13.802 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 -6.560 0.789 5.783 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 7.494 14.122 18.940 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 -13.615 26.139 24.008 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 -3.158 -3.341 -2.887 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 7.977 -9.870 -8.641 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 -25.079 7.450 5.633 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 -1.542 -0.459 4.234 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 -5.773 4.588 0.333 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 -11.414 7.472 -5.865 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 -4.267 -4.592 2.768 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 -29.651 0.931 9.582 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 9.833 -20.076 -2.744 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 4.576 1.873 -1.209 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 0.062 -3.927 28.734 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 16.538 6.188 -3.844 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 4.116 1.333 -7.683 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 -6.676 8.615 -23.393 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 23.127 -11.322 -13.057 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 2.492 -6.566 1.394 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 10.205 2.317 -5.961 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 -10.573 -11.557 -3.578 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 -1.940 -0.087 -1.906 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 -11.848 -10.627 -16.150 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 5.857 -11.962 -17.251 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 -3.923 1.986 -7.525 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 -3.878 0.600 -8.454 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 -5.202 -1.484 -9.866 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 -3.015 -0.656 3.500 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 -11.843 15.246 8.449 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 9.411 1.108 -0.536 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 1.646 2.899 1.932 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 21.074 -0.508 12.072 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 -12.613 -8.846 13.126 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 -3.256 0.063 -0.514 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 15.503 19.694 5.375 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 -4.860 -26.997 -10.480 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 -1.554 -1.122 -3.965 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 -3.510 -12.021 -0.512 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 -13.641 31.368 12.380 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 5.852 -5.106 1.696 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 -0.989 2.853 -5.354 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 -9.162 7.441 16.590 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 -3.128 -1.823 -3.849 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 25.509 -21.431 -17.063 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 26.531 -4.620 26.371 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 2.733 4.896 -7.195 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 -3.848 -6.213 -25.704 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 5.019 -9.201 -4.078 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 1.077 -0.033 1.578 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 5.076 -7.677 -11.165 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 14.586 -4.267 11.536 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 -1.374 3.769 0.648 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 -9.529 13.977 -6.229 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 5.035 -6.926 -11.288 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 -9.018 -6.660 8.811 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 1.272 -21.407 7.711 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 -24.058 -18.810 12.081 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 -0.209 -9.949 -3.383 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 -12.238 15.109 -13.912 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 -18.164 -3.645 4.291 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 3.139 -2.209 4.157 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 -3.064 -18.649 27.404 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 17.272 13.041 4.295 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 1.213 0.194 -3.162 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 -7.535 -13.284 -8.557 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 10.470 21.965 -0.047 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 -0.121 1.086 -2.254 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 -8.849 23.606 1.623 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 6.219 23.098 6.740 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 1.314 -3.455 0.338 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 2.195 -4.225 -11.857 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 5.438 -2.328 9.812 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 -4.315 7.571 1.399 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 10.945 16.135 8.910 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 30.140 9.548 27.907 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 3.323 0.520 -1.351 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 18.212 -10.649 -13.817 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 13.283 11.736 15.064 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 -0.433 9.728 -0.849 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 8.614 6.952 2.782 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 -12.952 10.073 -1.318 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 -0.520 -3.581 0.536 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 4.981 -6.984 -5.694 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 -7.394 -11.135 -15.656 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 7.361 4.770 -3.524 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 -7.811 -6.114 1.807 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 15.926 -2.562 -18.764 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 3.701 -3.704 1.294 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 0.677 -1.735 18.687 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 13.292 6.201 -4.089 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 -2.382 0.350 -4.935 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 15.806 1.055 -3.941 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 7.763 2.666 -2.185 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 2.507 3.034 -0.603 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 -5.088 11.506 16.601 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 -31.192 7.188 0.934 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 0.262 -2.618 -2.170 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 1.762 -16.705 6.197 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 0.499 1.418 -8.490 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 -3.128 -6.562 2.089 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 -11.481 15.650 15.206 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 -22.914 29.227 -19.028 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 -9.329 3.102 -1.241 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 -9.548 9.876 -14.290 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 -4.218 -3.945 3.454 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 -1.153 5.754 3.891 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 -4.970 29.709 16.140 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 -0.675 9.626 -10.843 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 2.916 -0.107 4.534 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 -9.639 -7.085 10.390 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 24.788 17.949 -1.869 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 -2.846 -5.789 8.878 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 5.628 8.979 18.681 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 9.074 2.717 12.813 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 -4.624 6.277 -4.082 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 -10.882 2.357 -3.463 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 -4.308 8.992 -4.287 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 -0.535 -3.190 -2.869 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 1.807 -4.511 7.659 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 -4.187 -4.382 -17.343 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 2.335 7.709 -1.181 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 -19.974 10.657 8.137 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 -38.045 -4.477 -8.185 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 5.731 -6.296 0.346 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 13.653 -4.720 12.869 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 2.767 18.294 7.836 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 -0.130 -0.529 5.123 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 -7.075 11.309 17.665 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 -10.443 7.879 18.263 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 2.192 12.595 3.502 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 5.806 5.056 0.357 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 12.804 -7.216 -3.272 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 0.529 0.324 3.806 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 7.216 -2.630 12.845 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 -15.366 13.226 9.132 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 2.296 -4.094 -5.558 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 7.310 -25.610 -34.278 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 20.638 21.076 3.793 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 0.149 5.460 1.815 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 -1.774 -7.374 12.183 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 -12.245 33.769 5.876 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 0.217 0.701 1.849 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 -4.357 -8.109 -14.758 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 -11.128 9.184 16.535 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 0.368 -0.302 2.120 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 1.605 -0.264 2.325 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 2.510 -2.986 -4.336 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 -0.593 4.767 1.204 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 3.122 9.362 -11.583 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 6.506 -4.448 10.972 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 -1.950 -2.878 3.975 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 1.891 -17.330 3.741 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 -30.838 1.101 9.994 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 0.168 1.464 -8.144 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 -5.446 -15.848 -12.498 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 12.238 6.636 -1.693 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 -2.889 0.376 7.622 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 -1.646 -0.095 1.771 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 2.710 -3.981 -6.455 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 0.279 1.749 -3.082 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 -0.955 -1.227 -1.502 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 -44.896 -33.376 -20.391 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 -5.426 -1.787 9.631 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 -4.207 2.738 1.220 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 -3.855 4.455 14.190 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 -4.146 -5.014 -7.772 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 -20.183 3.499 -9.846 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 4.948 5.388 -3.798 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 -0.383 3.352 8.711 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 19.284 -24.413 -0.677 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 14.659 -17.990 -0.693 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 4.062 6.331 2.681 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 1.552 8.185 8.002 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 15.439 8.897 -13.904 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 5.731 -3.472 -0.521 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 0.964 -3.500 6.635 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 8.140 -3.787 0.632 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 -5.137 4.374 2.463 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 -9.051 12.267 2.911 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 17.640 -12.818 4.204 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 -3.155 7.259 -3.011 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 -6.699 10.410 -6.403 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 -3.702 7.358 4.365 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 -1.003 3.147 -1.909 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 -4.680 -0.925 -4.774 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 -4.067 -16.043 -5.016 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 -0.950 2.710 -6.724 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 8.347 15.125 -12.334 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 5.807 -12.248 -18.868 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 1.560 -0.197 4.436 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 22.284 -4.120 -10.714 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 -5.547 1.105 7.848 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 0.973 -1.175 -4.885 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 -11.603 0.645 -23.975 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 1.002 13.568 2.257 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 -1.796 -4.987 4.498 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 3.415 1.152 -5.765 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 -11.840 -6.665 2.269 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 -4.170 -3.182 -0.882 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 6.101 -21.345 -10.927 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 9.963 -2.649 -0.300 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 -2.906 5.349 4.878 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 -1.264 19.250 4.633 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 1.947 -8.584 12.373 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 -5.307 -1.357 0.923 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 -3.210 -2.143 -14.424 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 -6.564 -5.503 1.650 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 -9.723 -1.243 -5.853 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 -26.475 -16.664 3.033 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 9.970 -13.630 0.757 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 -6.279 4.910 3.561 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 -6.010 -3.511 5.450 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 0.958 1.232 3.162 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 -5.024 -5.290 -2.119 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 -2.254 -2.819 -0.861 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 -4.112 -4.148 -0.017 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 -5.772 3.095 -0.134 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 -1.309 11.395 0.429 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 -11.628 1.843 -5.289 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 0.847 -0.255 2.302 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 1.206 -2.129 0.227 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 1.353 11.792 19.202 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 0.005 -1.756 -2.468 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 -19.453 -0.652 5.227 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 -3.601 -7.022 -20.051 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 1.114 -2.657 -3.726 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 9.711 -3.877 -14.937 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 -8.628 -2.795 9.014 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 3.264 8.446 3.434 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 8.757 -28.204 14.665 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 4.393 5.889 5.425 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 -0.606 3.257 0.216 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 -9.009 6.671 2.489 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 -4.792 -2.676 30.634 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 1.567 -6.805 6.526 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 -5.172 1.146 13.927 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 -15.935 -9.187 -5.683 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 -2.407 -3.741 -5.820 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 8.954 17.922 -21.652 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 14.316 -22.784 -11.873 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 3.812 6.527 -4.457 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 5.902 2.640 -1.275 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 8.801 9.811 -4.591 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 3.274 3.693 2.033 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 0.354 5.277 8.039 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 3.010 2.097 0.505 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 1.292 3.220 -2.120 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 -2.868 -2.089 13.686 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 10.478 24.862 1.597 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 4.641 3.944 0.717 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 -0.422 -10.082 -4.104 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 -7.013 15.366 1.284 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 10.880 7.779 -3.408 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 23.633 19.654 -13.682 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 3.973 23.125 -7.102 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 -1.507 7.595 2.430 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 7.544 -5.346 -20.467 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 -18.443 -7.901 13.605 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 0.017 -3.164 2.013 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 4.469 -1.506 0.748 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 -17.073 -8.990 7.220 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 8.896 9.790 1.854 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 3.328 6.496 7.604 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 5.396 1.785 0.923 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 -5.708 5.880 -2.004 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 -6.957 -0.931 -10.267 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 -8.206 1.517 7.324 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 4.345 5.073 3.502 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 -1.655 2.014 18.502 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 5.693 6.110 -1.649 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 2.904 0.263 -3.356 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 5.800 -14.140 5.970 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 -27.020 17.586 -33.237 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 -6.758 0.460 -2.334 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 -6.088 15.854 29.837 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 6.666 -8.734 2.865 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 5.262 1.120 2.206 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 8.180 -25.623 23.248 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 0.551 2.270 -3.411 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 0.944 3.755 -6.489 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 24.297 20.909 -2.140 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 -10.221 25.063 -15.224 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 -3.933 -1.457 -4.830 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 -2.368 -5.656 -8.788 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 -11.135 6.653 -1.257 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 2.914 -2.524 6.998 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 -43.002 -0.910 -17.747 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 3.861 -45.997 32.939 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 0.019 6.776 2.712 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 39.039 13.949 30.328 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 -1.562 19.441 -18.926 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 6.032 -1.103 1.676 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 -7.458 -23.971 21.937 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 6.529 11.702 -6.883 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 -2.590 -7.521 -0.413 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 -1.272 -3.514 0.404 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 0.309 5.373 -2.495 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 -7.952 1.016 -1.915 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 14.265 -4.005 7.383 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 -8.888 27.633 0.339 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 3.807 2.560 -3.839 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 3.458 8.888 -28.069 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 7.919 20.402 5.034 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 -9.155 -1.384 0.273 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 -6.020 -16.159 7.586 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 -8.660 0.097 -4.999 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 -2.307 -5.174 2.727 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 -8.713 -6.084 16.469 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 15.048 -16.896 -10.425 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 -2.737 -3.668 -3.039 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 -1.040 -10.508 19.860 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 18.212 -5.053 0.156 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 4.224 5.669 5.660 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 10.650 30.797 23.107 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 6.509 2.311 9.747 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 0.165 2.324 5.181 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 16.428 -0.556 2.070 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 -7.630 -10.914 13.111 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 -3.560 3.643 -0.477 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 -12.084 -0.168 6.178 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 -5.718 9.783 -5.864 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 0.600 1.199 2.645 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 5.377 -0.872 1.523 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 -11.158 7.404 4.059 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 3.568 2.343 7.808 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 -17.071 -2.124 -4.420 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 4.142 -10.566 15.302 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 -1.490 -4.837 -2.677 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 -12.618 8.315 -7.952 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 15.401 -9.642 8.772 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 2.795 6.947 -2.015 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 -9.857 8.741 -4.272 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 3.520 -4.936 -3.610 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 -6.017 -0.423 1.509 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 23.437 19.906 -3.383 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 -4.655 -23.969 -15.232 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 -4.482 -2.551 0.680 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 21.344 23.546 -2.752 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 -7.301 1.393 19.187 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 -0.505 4.509 -2.153 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 -11.226 7.501 0.907 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 10.172 1.007 -3.826 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 -2.691 1.753 2.854 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 -21.572 5.976 14.566 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 -10.470 7.992 0.494 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 -5.286 -1.789 -2.445 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 -12.708 -4.230 5.258 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 -3.527 0.722 -29.199 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 4.933 1.672 -1.408 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 6.781 -14.711 -11.366 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 -9.915 0.475 6.312 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 -7.375 4.032 -0.262 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 -7.232 -4.704 15.797 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 19.419 -2.919 -3.666 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 4.707 -1.716 3.797 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 24.380 -15.449 19.162 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 2.550 -23.075 -0.336 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 9.147 -3.268 1.485 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 -1.947 -17.441 29.324 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 -6.390 -22.858 6.541 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 -3.133 -2.242 -1.985 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 5.135 3.814 -8.629 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 5.299 -8.381 -15.316 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 11.590 -2.814 -0.947 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 1.450 -0.029 2.780 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 11.279 0.248 -12.706 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 -6.146 -6.464 -5.970 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 -0.044 -12.602 7.132 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 -16.144 -2.498 0.440 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 -0.936 -4.071 -0.461 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 13.338 -1.937 15.831 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 5.244 -4.138 5.834 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 -1.937 -8.805 1.158 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 -8.533 -5.973 21.793 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 18.977 -2.181 1.344 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 -2.884 1.860 -7.438 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 21.737 17.625 6.578 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 -9.186 13.526 -8.624 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 -2.848 -0.455 3.567 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 15.974 3.891 1.561 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 -15.679 0.408 -2.193 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 1.937 11.919 3.728 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 -23.204 5.080 4.649 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 7.593 1.064 -3.479 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 1.206 -3.846 3.352 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 -4.194 5.346 7.081 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 1.353 9.055 0.722 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 -8.520 -5.963 0.505 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 -6.910 -6.645 8.573 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 -12.436 14.677 -4.900 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 5.709 2.940 -1.617 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 2.197 -9.152 4.705 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 11.784 -7.193 -9.120 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 -1.374 -4.352 9.141 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 -7.617 20.997 7.498 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 -12.459 8.400 8.536 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 -7.737 2.433 2.195 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 -2.615 11.805 8.413 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 -32.864 -11.909 -26.296 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 5.876 0.891 6.231 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 -3.538 20.141 13.578 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 0.748 -35.446 6.206 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 0.692 2.697 -1.155 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 19.373 5.871 -1.767 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 -2.784 -8.615 14.131 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 1.484 -4.523 2.698 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 5.906 -14.746 18.855 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 3.083 -4.483 -1.252 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 -1.386 2.512 1.112 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 -0.265 3.847 0.439 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 0.786 -0.365 3.081 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 2.127 0.242 -0.459 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 14.805 -4.619 -4.601 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 3.391 1.247 -1.467 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 -4.191 -4.741 7.310 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 -15.414 -5.285 6.764 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 1.293 9.271 2.532 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 -3.459 -1.159 -1.402 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 9.504 3.030 12.172 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 -0.029 3.208 10.880 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 0.685 0.276 -2.751 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 -3.196 -2.022 -4.078 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 -5.705 -6.712 0.931 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 -2.564 5.781 1.612 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 -10.643 8.480 -12.627 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 -10.564 4.756 5.908 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 7.186 -3.558 3.502 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 -25.390 7.397 -17.527 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 -16.582 6.311 -3.536 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 0.794 -6.538 -6.906 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 -17.313 -12.855 -10.023 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 -13.436 1.442 -1.697 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 0.647 -3.396 -2.526 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 4.827 -8.215 1.069 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 -9.949 -1.450 -1.949 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 -2.328 6.287 -0.311 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 -10.853 -7.097 19.442 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 11.935 3.647 9.101 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 -5.811 -0.959 0.009 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 -26.249 -18.516 -14.682 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 -1.364 9.778 -0.476 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 8.514 3.633 -4.072 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 10.473 6.280 -14.933 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 -12.119 2.326 2.930 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 0.512 1.453 4.154 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 -5.266 4.718 13.299 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 -0.010 1.838 5.397 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 6.043 5.656 -0.120 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 -5.751 24.963 12.441 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 -2.400 12.664 9.344 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 0.853 7.117 -2.078 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 2.868 -0.069 23.302 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 19.657 -30.720 -5.869 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 -0.993 0.681 -3.292 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 -3.804 11.662 -5.479 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 -5.535 -6.358 -0.269 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 -7.517 -3.383 -1.227 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 -14.150 25.330 -6.780 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 -3.801 -25.630 4.683 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 3.314 5.420 1.441 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 -0.131 -13.520 -3.393 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 4.462 19.253 3.992 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 -3.254 -0.378 4.615 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 -17.497 -4.925 -9.657 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 31.732 6.295 -5.415 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 -4.170 9.208 -6.306 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 -9.155 -1.935 0.442 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 -22.491 -8.696 -8.799 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 8.107 0.879 -0.253 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 8.330 0.860 10.587 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 3.114 4.494 -20.400 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 6.066 3.081 4.969 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 4.985 -5.645 11.098 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 -2.003 5.698 -0.969 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 -0.973 4.044 6.050 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 -2.851 6.148 0.203 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 -2.016 -7.273 20.406 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 4.195 0.300 2.279 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 2.745 -1.979 1.972 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 5.759 -0.966 2.830 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 8.142 -0.961 2.274 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 3.029 5.343 -10.239 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 20.428 3.251 5.634 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 6.886 -2.250 2.510 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 -32.597 34.599 -0.675 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 25.767 -6.387 17.051 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 -5.985 1.884 1.385 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 -20.522 -4.789 14.372 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 10.515 6.320 -7.630 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 -2.475 2.020 -9.804 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 -4.268 13.959 -6.732 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 -8.698 -1.282 -16.209 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 -0.775 3.095 -5.707 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 -1.406 3.948 -6.174 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 -1.028 3.215 -4.769 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 -0.898 -0.211 7.603 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 20.169 6.814 26.106 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 21.190 -0.021 -5.610 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 1.285 -0.957 -5.588 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 -0.208 -3.677 9.051 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 -0.594 -3.061 1.806 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 0.451 -3.097 -10.832 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 17.970 23.758 4.340 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 -21.330 17.421 -3.054 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 -3.216 1.901 -3.305 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 0.494 1.311 -8.549 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 -3.331 15.186 2.561 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 -2.914 -0.957 -0.075 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 15.465 -14.724 10.396 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 -10.098 -1.341 5.726 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 -0.826 -1.454 0.915 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 -0.486 33.462 4.728 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 0.445 15.381 19.306 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 0.508 -6.447 1.306 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 -4.901 -2.263 6.322 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 36.746 -18.171 -4.077 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 5.962 4.447 9.633 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 3.944 -9.835 -3.108 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 -3.776 1.001 4.257 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 -1.170 -4.347 6.825 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 -3.763 -4.819 19.679 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 3.142 -6.388 14.737 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 0.338 6.860 3.952 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 0.033 8.150 16.650 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 -5.377 4.289 6.674 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 -5.917 -7.180 -3.605 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 -3.695 -1.956 2.752 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 -1.086 -1.273 -6.010 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 3.395 -0.244 3.284 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 10.569 -8.381 2.874 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 12.901 5.035 13.584 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 3.242 -2.036 -2.725 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 -2.509 9.069 -1.422 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 9.890 -15.574 7.592 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 -0.317 -1.375 0.157 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 2.114 -3.143 2.305 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 -2.135 -1.364 -8.628 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 -2.988 4.053 -0.991 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 -3.915 8.053 -8.062 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 -5.511 -3.607 -2.446 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 9.850 4.112 -2.904 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 9.712 0.343 8.743 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 -4.827 -11.404 -2.415 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 -1.603 -0.566 4.389 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 -9.157 9.745 5.409 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 4.835 -13.001 -9.906 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 1.060 0.211 -6.162 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 -5.489 -15.582 -11.749 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 4.521 7.973 -7.956 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 -0.552 -3.787 -1.768 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 -8.830 -0.508 22.802 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 6.513 -21.827 -2.290 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 3.211 2.185 5.624 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 -15.039 -32.622 13.559 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 17.164 -16.638 12.034 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 6.096 -4.295 4.117 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 -13.059 -18.745 9.495 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 17.832 -18.990 -12.965 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 -4.085 0.362 -2.044 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 -1.952 1.970 6.418 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 -0.745 1.742 -4.766 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 -4.625 0.241 1.546 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 -2.592 -19.345 30.916 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 10.301 -18.140 -6.627 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 3.575 -4.119 6.538 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 -6.512 -5.215 9.431 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 2.598 -18.875 9.190 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 -3.189 8.220 -6.495 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 7.111 16.028 9.307 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 3.429 6.733 -5.877 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 -1.075 5.900 -9.792 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 7.004 21.779 -12.573 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 -2.561 -13.348 -1.029 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 1.214 -1.809 1.926 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 2.881 -1.760 10.051 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 -16.583 2.166 -35.513 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 2.155 -0.998 2.971 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 -6.801 8.565 15.434 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 9.553 5.250 -6.681 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 0.539 4.828 -5.458 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 -1.578 -2.433 -2.885 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 0.588 -0.386 14.127 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 1.576 3.931 0.121 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 14.980 -1.122 -6.590 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 -5.892 11.457 4.406 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 -1.580 4.959 -1.081 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 -20.860 -0.393 -0.912 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 17.566 31.564 6.007 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 5.225 -3.242 2.202 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 25.010 -2.324 5.649 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 -18.187 -23.508 17.460 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 2.615 -3.673 -4.757 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 36.612 7.427 -6.647 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 -28.348 -16.571 -2.081 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 1.810 1.591 -3.275 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 -2.928 15.735 9.881 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 4.355 -3.956 -12.784 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 -0.615 -3.923 -4.704 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 2.967 -4.511 2.066 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 3.264 -7.672 -1.481 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 -1.853 2.815 4.603 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 -10.568 0.099 4.819 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 2.765 -1.589 -2.115 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 0.023 -2.205 -6.253 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 -3.466 -8.971 -9.883 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 3.707 0.733 -11.233 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 0.452 -0.603 9.093 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 6.112 -8.442 18.846 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 5.755 -6.632 19.565 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 5.195 -3.310 8.559 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 -16.200 10.534 -3.642 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 3.471 -10.144 3.335 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 -2.451 -0.096 -1.263 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 10.039 7.643 -14.938 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 4.713 1.696 -9.103 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 -2.237 -1.896 -2.666 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 -23.481 -10.602 2.550 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 -1.911 -14.144 -2.760 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 -1.022 4.630 -2.258 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 -24.666 -4.294 -7.345 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 1.361 -0.532 -14.713 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 -6.209 -1.890 1.033 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 4.246 12.987 1.507 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 44.479 9.935 -30.191 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 -2.178 -4.278 1.481 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 -2.306 -6.043 -10.461 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 -11.232 -5.695 10.172 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 -0.753 0.722 -3.095 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 5.939 -34.785 -1.366 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 -22.305 9.741 -26.724 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 -5.052 0.800 -6.074 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 -2.082 -1.024 -17.546 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 -5.740 -1.198 1.716 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 0.545 -0.534 6.243 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 -6.728 14.316 -2.924 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 0.040 1.634 16.427 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 0.896 2.701 -2.504 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 22.601 -5.756 17.721 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 9.031 41.888 -10.443 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 5.083 2.742 -3.705 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 18.174 -8.320 8.333 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 2.030 11.119 -2.285 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 1.186 3.583 -1.496 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 12.373 -12.148 -9.742 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 -1.521 17.373 -17.221 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 -6.021 -0.518 7.671 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 4.752 -25.058 -24.375 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 6.817 -13.942 -20.447 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 -1.938 6.399 6.145 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 -4.928 10.541 6.108 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 0.226 2.337 6.207 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 -3.079 -1.129 5.931 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 -10.736 -0.780 24.003 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 -7.067 -6.975 7.084 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 -0.920 0.364 -2.279 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 -9.316 -4.439 -15.782 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 -15.348 -3.830 0.646 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 5.510 3.727 -1.160 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 -5.831 -31.879 10.563 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 -0.306 16.128 -5.896 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 -1.318 2.647 4.408 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 -6.814 4.108 8.213 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 0.108 1.863 -1.121 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 -3.671 0.340 7.203 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 -6.230 0.488 4.724 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 -1.979 -10.608 2.756 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 0.866 2.258 3.161 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 -9.520 -1.319 10.849 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 -5.160 4.419 -12.974 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 -1.340 -0.255 -5.969 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 -3.488 -0.067 -0.529 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 8.690 13.208 -12.598 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 -9.179 4.412 0.605 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 8.811 -24.403 -5.856 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 -10.294 12.718 3.406 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 -6.898 -6.681 -8.876 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 -6.696 -4.491 -10.307 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 9.438 8.587 -0.056 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 -0.827 1.646 2.977 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 -5.029 -4.980 -12.091 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 13.548 -4.089 3.934 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 -0.107 3.981 -5.784 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 8.613 7.168 2.382 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 2.200 -0.273 7.411 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 -3.196 2.129 0.599 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 -0.277 -7.801 -31.677 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 16.250 -9.908 -30.597 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 1.593 3.878 0.171 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 -12.175 -5.889 -9.879 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 4.881 -26.328 -6.911 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 -4.329 0.056 1.789 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 12.495 12.955 4.599 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 13.764 15.759 1.030 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 6.328 -4.225 1.007 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 6.455 -2.103 15.210 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 0.160 1.031 0.066 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 1.469 10.693 2.156 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 -6.066 -2.414 -25.505 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 4.972 -17.473 0.868 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 2.224 -7.718 4.474 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 1.628 40.449 -8.576 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 -9.664 14.803 1.941 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 2.715 4.749 1.232 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 -10.217 11.815 -0.020 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 3.559 4.726 -0.537 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 4.043 -2.292 2.842 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 -5.029 -14.035 3.833 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 -27.746 0.202 -7.296 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 3.584 7.993 -2.925 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 -17.795 10.158 -12.270 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 -7.333 12.925 -9.711 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 8.351 1.091 3.106 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 -7.897 6.994 -4.759 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 -5.316 9.371 -15.872 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 0.839 -4.516 3.107 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 -16.533 -4.636 2.828 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 11.519 -3.340 0.598 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 -0.726 -4.809 -3.092 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 8.034 -13.098 -7.000 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 -10.330 -11.872 -4.218 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 -2.769 1.251 -10.744 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 -15.562 9.224 16.336 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 -4.004 2.532 -6.979 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 3.353 1.027 -1.858 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 12.859 -0.407 -0.843 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 -4.486 -2.830 5.390 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 -0.095 0.529 1.587 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 -28.454 -28.698 -11.197 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 3.896 10.927 -10.227 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 6.901 3.253 -5.520 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 1.800 8.293 -8.178 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 5.778 18.965 -17.138 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 0.240 -0.633 -4.318 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 -0.787 12.247 -2.690 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 9.421 -2.029 -13.369 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 -0.726 -3.505 -4.864 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 18.118 -5.381 -24.665 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 -21.999 -6.756 0.956 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 1.290 0.156 2.120 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 -10.076 4.362 -6.927 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 -9.495 3.635 -0.650 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 -4.961 -3.363 3.921 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 3.563 1.298 2.601 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 -8.960 5.854 4.193 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 -1.047 -5.494 3.197 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 26.761 -23.035 11.057 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 6.468 4.591 -20.989 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 2.664 8.288 0.168 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 1.792 15.385 8.044 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 5.968 8.045 17.322 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 -4.741 2.222 -2.778 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 -11.948 6.230 -1.789 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 -2.191 -6.858 0.833 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 -6.501 8.695 -2.768 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 -7.553 1.578 -3.496 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 4.211 -11.894 5.377 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 -5.729 -0.244 10.310 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 -2.642 -13.230 1.974 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 6.492 -7.574 2.423 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 2.266 -5.350 0.245 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 7.667 20.003 2.775 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 -8.409 0.608 2.993 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 2.201 -1.210 3.892 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 9.492 4.574 1.322 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 -24.359 11.937 22.135 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 -1.190 1.227 -1.373 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 12.094 -11.093 5.002 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 7.262 -5.926 -9.415 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 1.290 5.345 -2.237 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 2.090 -6.802 -2.905 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 -0.994 5.841 4.024 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 -5.775 8.104 -10.595 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 -2.079 5.424 1.335 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 2.501 -4.035 -19.544 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 2.396 7.047 -10.420 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 -10.891 9.312 -22.673 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 9.656 -3.140 6.273 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 -3.467 10.721 0.760 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 13.630 -17.923 15.416 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 17.052 7.624 -3.950 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 0.442 -2.824 -4.453 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 12.343 2.238 -8.355 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 3.226 -7.800 14.399 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 0.953 -1.054 -1.840 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 2.573 8.133 0.057 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 6.340 27.411 19.534 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 0.246 -0.454 4.926 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 -3.707 -11.860 2.869 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 4.706 20.140 1.739 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 3.589 4.855 1.976 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 16.761 -4.396 0.032 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 6.754 -13.233 -4.395 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 11.785 5.791 -0.279 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 10.229 15.502 -1.986 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 -17.458 -19.059 2.680 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 -4.660 -7.122 -7.239 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 -7.000 -7.500 -5.875 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 -9.563 -28.594 10.489 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 7.045 0.631 -1.216 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 -2.405 5.211 -3.512 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 13.755 -4.819 -0.174 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 8.382 8.430 3.369 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 -18.182 1.467 15.775 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 -20.405 -5.857 17.837 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 0.764 -7.190 4.524 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 -9.566 -2.826 -5.230 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 6.742 -14.002 2.587 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 4.575 3.746 -6.791 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 10.500 5.824 -1.659 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 -8.039 -9.578 15.940 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 -0.073 2.310 -0.622 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 -0.526 5.063 13.915 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 6.224 8.754 20.031 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 -4.773 -4.145 1.496 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 -9.475 3.083 5.436 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 0.553 -4.909 -22.406 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 -2.241 1.593 4.154 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 0.544 -1.519 -2.023 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 -7.683 -0.402 7.870 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 -10.757 -5.922 9.463 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 5.292 -15.039 -9.076 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 -23.470 7.699 -3.177 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 -0.755 -7.023 3.099 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 7.763 23.048 14.911 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 -28.722 -12.344 14.650 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 -1.366 0.109 -3.156 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 -4.707 13.843 -7.848 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 -3.792 4.585 -4.468 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 -6.779 -1.826 -5.531 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 25.738 -0.761 -5.114 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 -22.805 13.628 3.139 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 3.538 -3.880 -0.814 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 1.200 -0.433 -12.675 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 17.083 12.259 -6.647 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 -5.354 -1.351 -0.393 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 -3.496 14.796 -11.401 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 3.598 -10.134 2.489 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 1.028 4.885 -0.603 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 2.729 14.977 3.376 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 29.160 -8.807 -12.455 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 2.292 1.972 2.809 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 2.163 -4.749 4.411 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 2.526 5.815 -3.020 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 2.546 0.112 4.814 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 27.100 -18.219 12.000 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 2.445 -9.352 0.743 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 3.940 -1.724 2.040 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 3.594 -3.204 -8.344 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 3.746 -11.336 -5.939 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 4.876 4.397 -0.837 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 0.609 9.128 -3.365 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 8.589 4.965 2.462 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 2.136 3.266 -3.176 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 4.096 0.291 -7.907 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 -1.211 -0.109 -1.155 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 2.317 -2.129 -0.933 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 -1.060 15.357 8.980 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 -9.933 -12.799 -0.587 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 6.249 2.627 -0.435 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 2.921 -1.472 9.328 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 -1.997 10.097 -11.369 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 0.062 2.966 -4.564 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 -25.306 -2.214 -18.736 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 -2.950 3.032 -5.633 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 0.700 0.617 5.076 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 -5.055 -1.854 11.311 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 16.101 7.264 -9.372 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 -0.056 -3.377 -3.750 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 -2.621 9.308 5.830 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 -4.290 3.959 -17.538 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 1.204 10.232 -0.836 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 15.848 -7.944 8.630 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 6.987 3.352 2.025 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 -1.267 3.350 -1.401 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 10.966 -4.533 -19.280 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 -5.672 -4.215 20.328 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 -1.292 -0.463 0.137 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 -6.795 -6.974 2.150 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 -5.473 6.604 3.584 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 4.722 6.836 -3.222 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 -6.886 3.035 2.743 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 -0.089 5.991 13.328 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 8.226 -3.991 -5.605 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 9.601 -4.389 5.962 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 10.983 13.671 2.410 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 -5.671 0.562 -7.284 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 -5.017 2.778 -1.422 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 -5.158 5.244 2.689 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 11.131 3.230 1.892 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 -11.684 -26.703 -10.930 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 -5.539 -3.582 -14.917 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 6.736 6.167 -1.533 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 2.287 16.541 0.003 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 5.784 1.688 -2.865 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 2.606 -1.186 -1.263 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 -5.951 -10.008 10.466 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 -2.964 17.661 -1.206 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 -3.487 2.298 6.318 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 -2.407 -2.550 -8.497 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 -0.167 -5.644 13.649 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 0.944 3.472 0.664 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 -6.306 -2.843 18.141 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 16.819 -8.722 22.899 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 1.925 -1.799 -3.142 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 4.234 -4.173 -13.737 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 12.078 2.895 -0.937 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 3.623 -0.445 -2.846 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 11.672 -7.714 -7.587 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 10.299 9.265 -0.436 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 -1.122 -6.043 4.834 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 -12.803 4.694 26.388 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 -20.705 -19.228 2.904 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 1.649 -1.481 -6.239 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 -10.615 7.957 -0.717 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 24.673 -1.753 -8.821 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 -0.801 -0.278 0.856 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 6.810 3.229 11.043 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 3.129 6.857 -4.335 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 1.882 4.406 1.644 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 -2.242 24.304 15.554 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 7.917 -9.143 -16.365 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 -0.898 6.453 9.655 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 1.334 -0.812 -8.822 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 10.463 25.849 -4.258 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 -1.745 -0.433 6.329 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 12.160 2.005 9.993 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 -2.518 -10.225 -8.084 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 0.774 1.369 2.254 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 -4.086 -1.417 3.192 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 14.230 7.492 -4.501 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 10.252 0.430 -0.529 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 27.248 10.297 -14.827 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 -10.431 -10.759 -1.404 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 -2.221 7.268 -4.184 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 4.073 2.248 -4.252 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 -7.610 -0.828 -6.934 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 -1.238 10.201 -4.396 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 3.447 27.107 0.677 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 -11.559 22.564 17.766 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 -0.583 -2.036 2.853 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 9.212 -5.628 25.601 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 -0.208 0.988 11.552 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 0.963 4.176 -0.273 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 -5.578 4.728 -17.764 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 13.775 -5.593 5.136 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 2.356 -5.994 -1.720 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 -2.157 -5.279 -16.594 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 -16.959 6.123 -0.773 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 -2.838 1.033 4.349 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 -7.367 1.803 2.351 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 -0.853 -7.443 6.606 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 -7.984 3.948 -6.191 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 7.668 10.370 -1.230 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 -12.995 15.151 -14.690 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 0.621 -4.421 4.979 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 2.939 -18.724 21.926 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 -5.153 13.565 13.840 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 -5.199 -3.515 2.983 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 -7.657 7.200 26.683 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 20.746 -16.199 2.883 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 -0.090 3.001 2.619 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 17.329 21.870 6.814 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 25.854 23.169 31.278 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 -7.744 -1.457 -1.806 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 -6.922 -3.952 -1.824 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 -9.645 -5.285 -1.474 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 5.801 6.394 4.794 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 10.970 -5.388 3.467 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 -0.773 25.323 -11.478 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 4.877 -4.047 3.342 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 -4.824 -26.363 -3.315 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 -12.909 -18.293 6.700 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 -5.772 2.630 3.274 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 0.795 -4.981 -15.496 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 -3.311 -6.025 -7.833 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 -5.550 2.345 -6.608 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 -3.505 0.900 -1.625 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 -2.543 -1.445 5.118 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 4.991 4.837 4.847 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 17.411 11.013 -19.744 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 27.391 18.345 14.389 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 2.848 -1.350 -5.168 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 30.376 -2.183 -5.392 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 1.941 -2.317 -19.055 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 3.148 6.005 1.368 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 7.400 9.337 -7.330 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 10.982 13.878 10.435 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 -2.565 3.144 3.064 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 15.776 4.665 13.730 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 -7.202 1.658 6.409 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 9.241 6.664 5.071 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 23.583 -0.066 -19.774 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 -3.033 -17.746 13.872 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 -1.869 -2.719 1.161 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 -11.265 -15.324 -4.023 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 -0.754 4.898 -5.191 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 5.066 1.388 -1.751 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 13.045 -3.378 -18.140 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 14.001 -9.943 -41.321 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 4.208 1.974 -2.556 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 6.882 1.352 -2.670 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 25.642 23.971 -14.913 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 5.139 0.409 -2.516 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 3.516 -10.749 0.522 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 3.900 6.899 6.696 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 1.201 1.064 -10.630 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 1.852 31.845 -5.040 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 8.008 12.262 -6.169 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 -9.592 -0.706 1.878 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 -16.265 -7.420 -4.182 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 6.643 2.577 -11.396 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 0.041 7.926 -4.161 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 10.925 14.838 -0.348 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 -7.690 6.703 0.026 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 -2.690 4.646 -2.372 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 9.377 9.243 -5.809 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 2.407 -5.546 1.904 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 -1.046 0.853 -4.096 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 -3.209 5.570 -6.031 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 0.702 -3.210 -3.404 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 6.364 -0.905 -3.184 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 22.261 -10.153 -18.641 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 -22.819 -5.940 -2.889 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 4.784 -4.353 -2.820 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 -5.009 -19.943 -9.470 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 16.955 -7.543 -16.066 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 5.136 4.471 0.348 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 21.787 -0.740 -13.227 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 -3.931 19.845 -6.220 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 -1.303 1.086 -7.138 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 -4.605 2.214 -6.566 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 -10.910 -1.398 -8.705 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 -1.528 5.316 -8.574 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 -1.122 -3.180 -5.015 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 -2.019 5.161 -6.397 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 5.929 7.734 3.317 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 3.649 -12.773 13.387 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 10.646 -2.652 8.891 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 1.162 0.311 -0.279 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 -10.004 9.350 2.270 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 -10.589 5.799 -14.167 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 -2.716 2.356 -2.907 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 1.570 3.583 6.832 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 -13.600 1.183 -0.804 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 -3.167 -1.705 -4.433 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 -14.763 15.361 -7.409 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 -5.535 -3.881 21.014 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 -2.109 -5.958 10.844 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 17.831 -18.101 19.346 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 4.914 -9.719 9.278 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 -0.554 0.705 1.622 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 -6.436 -13.130 7.403 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 5.847 0.310 2.193 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 -3.889 3.495 -2.748 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 2.627 -10.985 -9.918 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 -1.750 1.383 13.847 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 2.022 -2.352 -2.136 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 -3.254 -20.608 12.950 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 4.313 17.880 12.782 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 4.704 -5.347 0.543 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 -25.373 -4.426 -24.098 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 1.948 6.287 -8.394 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 -1.763 -1.126 6.600 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 12.348 -1.501 5.435 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 -4.789 -3.729 7.145 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 2.985 -2.371 3.406 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 -6.460 -15.026 -8.877 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 20.867 8.229 20.030 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 4.893 1.059 0.577 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 10.386 -6.085 -5.733 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 -5.811 -15.354 0.657 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 -5.619 -0.638 -4.134 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 -8.157 12.518 -0.379 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 7.939 0.597 -11.597 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 -2.930 2.096 3.886 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 -3.134 -0.917 5.742 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 -3.736 -4.498 7.947 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 5.358 3.320 -0.546 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 -0.071 -14.396 -3.372 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 -6.212 1.880 -13.129 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 3.455 -0.824 -1.760 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 -0.378 -8.838 2.827 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 5.188 13.110 -6.022 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 -0.593 1.253 2.697 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 0.464 -16.248 14.901 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 -10.835 15.993 -4.047 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 -2.822 5.434 -5.946 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 -17.297 5.315 12.816 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 12.206 -5.854 -3.174 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 2.121 -3.652 5.154 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 -5.754 -9.968 3.282 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 -10.628 6.198 4.855 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 2.552 0.920 1.616 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 18.060 11.625 -3.393 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 -1.561 -9.084 -0.028 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 -1.573 -2.627 3.603 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 -10.179 -2.257 6.809 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 -3.194 -11.272 -1.162 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 -0.380 -2.045 -0.822 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 -8.946 -23.403 20.889 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 -6.589 -15.909 15.792 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 3.058 1.664 0.426 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 -0.941 19.533 -1.791 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 -14.612 -1.438 3.932 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 2.394 0.597 6.299 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 11.175 4.846 7.892 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 6.207 2.552 -1.608 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 -5.728 1.921 2.158 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 13.348 -8.199 -2.861 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 -18.718 -27.780 12.907 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 0.601 5.045 -1.659 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 -6.596 1.994 -8.763 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 5.579 0.278 -3.240 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 -3.910 6.630 1.803 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 5.012 -13.977 13.441 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 3.359 -4.345 -8.279 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 -4.239 0.587 6.543 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 -14.391 18.421 14.621 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 7.908 2.384 -4.832 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 -1.053 0.866 -3.432 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 -16.973 -9.710 -3.761 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 -0.333 4.047 0.020 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 0.624 -5.279 -1.336 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 12.866 -18.744 -13.614 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 19.876 13.105 -8.600 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 -4.710 1.636 1.006 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 -12.330 -3.405 5.909 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 14.915 1.074 -6.167 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 -3.318 0.187 -1.901 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 -1.084 4.749 3.903 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 3.593 1.522 0.205 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 3.882 3.435 -2.280 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 -1.201 12.283 20.541 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 1.669 -20.032 2.833 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 -2.043 2.586 1.638 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 21.826 -16.518 3.766 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 10.385 -16.438 -0.659 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 4.652 4.181 0.754 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 9.137 2.874 -1.648 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 -1.383 2.515 6.433 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 -1.508 4.648 6.705 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 12.019 -5.373 3.665 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 -13.007 0.079 -5.498 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 -1.647 2.664 4.244 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 -10.237 14.812 29.667 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 -18.050 14.796 -17.092 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 1.972 -3.864 9.327 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 22.200 0.827 -14.975 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 2.274 4.589 11.556 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 -6.591 5.479 -3.809 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 2.735 14.026 12.889 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 -17.758 4.853 -2.062 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 -1.992 1.797 4.216 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 -8.167 -7.282 -6.589 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 -18.079 -9.789 9.071 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 -2.441 -3.397 5.691 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 -26.775 15.050 7.225 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 6.454 -12.108 1.988 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 4.051 -2.253 -1.320 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 24.626 -0.261 2.377 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 -11.884 -10.053 -3.730 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 4.039 -1.520 0.143 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 -6.785 0.234 2.622 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 9.645 4.571 9.131 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 -4.557 -6.880 2.486 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 -16.175 23.096 -2.430 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 20.302 -6.351 -23.100 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 5.600 -8.456 -3.704 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 -14.786 10.389 13.566 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 6.225 -9.616 -4.961 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 5.095 5.451 2.059 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 0.864 8.926 -4.910 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 -4.108 7.894 58.116 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 -3.158 2.085 0.676 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 -14.887 -3.543 -7.503 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 17.056 3.428 -4.398 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 2.360 3.524 -5.976 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 -11.983 2.351 1.757 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 9.105 13.991 4.612 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 -2.683 -3.505 -0.577 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 -2.749 -10.705 -3.455 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 -4.312 -5.746 5.376 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 -8.377 1.372 -0.635 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 7.703 -9.558 -11.309 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 -10.208 10.106 -4.409 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 -0.304 -3.884 -0.370 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 26.630 -12.336 -16.890 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 -19.261 16.402 10.812 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 0.155 1.203 6.178 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 2.335 -5.082 -20.506 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 25.367 -0.360 16.584 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 -1.575 0.439 2.213 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 -8.762 3.462 7.444 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 6.340 -2.592 6.247 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 5.273 2.646 3.853 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 5.160 -11.912 4.296 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 -8.870 6.478 1.044 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 5.828 -4.026 3.757 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 17.042 1.347 18.108 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 -8.267 -9.009 0.589 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 -1.262 2.083 4.690 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 -1.236 -0.022 -0.444 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 4.556 -4.581 -13.240 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 -6.428 -2.737 -0.231 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 -11.351 -6.184 20.638 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 7.391 -10.360 -14.928 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 5.515 -2.969 0.628 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 -16.466 -28.360 -15.885 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 10.399 7.265 -15.679 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 1.533 -0.485 -0.978 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 3.369 -8.219 10.622 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 1.994 -9.879 -18.031 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 3.466 6.238 2.239 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 8.671 6.038 -0.003 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 -11.113 31.227 18.931 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 5.024 8.296 -0.027 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 2.911 15.456 7.769 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 -2.823 17.699 7.798 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 -3.615 -2.010 -1.366 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 0.429 6.235 -7.387 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 8.877 7.311 -7.092 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 1.021 -3.536 2.095 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 -1.238 5.220 11.106 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 -3.932 -16.636 -14.165 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 0.616 3.618 -1.139 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 -1.223 9.763 -6.457 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 2.934 9.343 -28.529 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 -2.252 4.587 0.189 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 -2.291 -1.621 0.781 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 -9.032 8.752 -17.018 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 -7.708 0.641 0.811 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 -10.727 15.098 -1.818 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 18.034 2.622 -14.604 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 0.975 0.281 9.337 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 7.192 22.081 -5.377 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 -6.330 -7.193 11.870 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 4.602 2.551 8.583 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 -7.977 1.511 0.589 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 1.040 -2.904 10.938 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 5.447 -4.205 -3.167 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 18.813 0.392 -13.373 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 -2.400 -6.932 2.359 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 3.011 -1.615 0.185 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 -12.061 -19.267 -11.178 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 3.109 7.205 -5.719 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 -3.376 -0.256 -6.472 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 -18.631 7.946 -0.108 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 -1.167 7.563 -23.277 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 -2.337 -0.198 2.133 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 -11.172 4.635 -15.833 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 7.243 -7.825 12.948 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 2.746 5.867 1.977 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 6.130 7.358 15.256 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 -14.944 28.692 -2.589 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 -1.079 2.975 -1.361 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 2.704 14.118 -0.039 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 2.759 12.503 36.100 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 -1.496 4.062 2.960 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 10.421 -26.208 8.249 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 3.490 5.388 -9.294 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 1.840 -1.828 6.268 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 4.297 -6.774 5.358 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 2.405 -1.215 20.038 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 -0.728 3.622 -0.469 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 -10.002 -7.917 -13.484 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 -11.295 12.769 13.023 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 -5.378 -0.061 2.260 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 15.038 -7.321 5.654 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 -6.839 -1.401 -2.717 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 1.689 -1.568 -5.676 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 20.810 12.981 20.973 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 4.000 -5.295 -2.732 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 5.390 0.662 3.713 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 -8.936 13.092 0.740 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 -1.570 -0.394 6.974 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 -2.112 0.920 -4.387 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 -8.167 -29.320 13.062 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 -4.690 -3.465 -4.242 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 -1.301 -1.164 -4.547 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 -14.274 -19.174 -5.217 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 -14.779 0.977 5.002 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 2.993 3.871 -5.686 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 -8.003 -4.551 3.791 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 -12.907 7.767 -6.268 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 2.833 -2.925 -6.375 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 -10.661 -11.525 17.242 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 -18.546 -24.963 18.529 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 -2.079 2.865 -3.219 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 8.901 0.511 -13.635 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 7.894 2.724 -9.292 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 -1.031 0.360 -2.633 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 11.367 -12.257 -11.756 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 -13.810 12.199 -12.038 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 0.708 0.680 0.858 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 -1.376 4.602 -0.047 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 5.166 -6.749 -0.694 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 3.202 -1.235 12.643 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 -3.024 6.134 6.815 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 -1.570 1.217 11.882 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 0.370 5.257 -0.231 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 -2.799 7.928 -0.688 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 -1.531 5.078 -20.135 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 3.307 -3.031 -5.104 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 17.485 14.906 -6.034 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 -2.921 -12.479 -9.607 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 1.410 4.216 -0.921 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 -17.856 9.244 3.608 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 -0.859 -14.945 -7.374 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 -5.107 0.370 5.902 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 11.412 -11.020 -23.642 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 10.742 -11.298 33.051 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 -0.178 10.019 -2.880 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 0.190 10.393 -2.081 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 -8.270 8.984 -7.425 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 1.557 2.072 -1.087 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 5.320 11.497 6.202 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 9.482 -1.749 -5.807 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 3.266 9.754 -2.520 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 18.427 1.434 -15.550 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 -10.289 20.963 -19.533 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 8.026 1.750 -4.415 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 11.387 5.315 2.355 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 -12.818 -14.565 12.040 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 4.546 -5.872 -4.257 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 8.786 -23.882 -2.141 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 4.995 -1.139 -4.315 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 0.450 -5.823 2.233 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 5.951 -7.319 15.472 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 -15.061 -11.317 -13.508 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 2.076 -3.640 -1.991 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 -6.957 14.344 -5.687 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 -11.106 -3.804 2.348 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 -0.343 0.772 -1.254 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 1.391 -0.935 -8.249 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 17.087 -19.361 -3.103 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 -0.389 8.896 0.145 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 7.589 6.683 -8.895 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 -4.587 5.909 7.911 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 -2.043 -1.773 -0.378 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 10.490 12.134 -1.521 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 -0.420 -1.316 -0.763 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 3.539 -4.261 5.613 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 17.077 12.956 -3.841 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 -12.469 -4.080 12.486 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 0.857 2.199 8.871 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 -8.514 8.716 3.066 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 3.656 -3.111 -12.220 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 5.266 -4.675 4.367 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 -0.429 -19.532 7.322 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 2.198 15.504 15.028 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 -9.309 -2.010 2.176 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 -14.836 1.488 -5.815 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 -13.361 -17.110 1.015 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 5.903 0.340 3.490 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 -9.483 4.836 22.238 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 15.716 20.554 -13.637 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 -1.594 -7.018 0.874 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 1.061 -1.139 1.963 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 -3.788 0.518 0.509 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 -1.300 -2.079 -5.046 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 -3.975 8.176 7.312 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 -6.079 -16.579 -12.267 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 -3.930 -5.058 -1.703 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 2.012 -7.944 -1.037 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 -17.695 8.245 -15.611 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 -0.474 4.285 -9.496 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 1.818 -28.996 -10.862 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 -15.222 9.910 13.777 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 3.082 4.025 -6.358 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 -3.059 -0.086 -7.841 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 6.561 2.245 -12.259 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 1.001 -2.078 3.099 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 10.801 -14.138 32.022 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 -0.752 -3.282 7.712 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 3.407 1.001 3.043 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 -9.287 -17.753 21.469 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 -2.875 -9.582 13.211 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 -3.097 6.151 -0.536 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 -6.495 7.227 -3.179 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 -8.163 4.514 -0.311 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 -9.999 -11.039 -2.409 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 -18.769 -10.170 -0.211 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 -11.785 -3.402 0.170 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 -4.934 -0.374 7.817 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 -6.225 -2.947 7.539 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 26.437 -9.796 8.936 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 2.580 -1.081 -4.695 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 -14.488 -12.374 -6.055 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 13.937 -7.841 -11.840 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 -5.663 -0.416 0.990 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 -3.439 22.790 -10.456 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 -1.099 2.922 6.927 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 -5.562 3.615 1.377 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 -16.181 -8.224 15.432 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 -13.235 21.415 -10.551 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 0.819 5.274 1.455 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 24.246 2.663 10.267 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 -19.739 11.803 -0.182 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 -0.803 -8.853 -1.613 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 -14.368 3.584 4.884 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 22.321 -22.439 0.155 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 2.340 2.779 2.691 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 2.139 -15.271 22.391 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 -17.663 18.572 2.775 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 -0.543 3.912 4.811 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 -6.337 3.142 0.425 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 -2.045 1.556 12.081 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 -0.168 4.975 -0.911 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 1.304 6.659 14.659 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 -9.638 18.786 -5.459 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 1.304 6.168 -3.528 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 -4.276 -19.166 -9.546 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 12.247 -2.539 -20.307 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 -0.101 0.358 3.530 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 0.374 -8.809 7.061 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 0.125 -7.525 -6.505 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 -4.546 0.372 1.661 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 -0.715 16.287 20.802 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 -1.438 -4.675 10.901 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 0.358 3.258 -4.950 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 -26.824 6.917 11.323 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 6.211 2.705 14.683 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 2.356 -4.071 -4.243 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 2.746 9.036 -28.374 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 5.943 -9.004 -8.630 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 -2.938 0.052 3.009 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 5.590 16.638 2.732 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 -9.651 4.606 23.522 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 0.144 -2.621 -2.298 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 1.904 0.998 15.232 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 6.003 -15.886 -8.131 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 5.832 -0.800 1.393 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 33.850 -2.440 -6.621 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 18.415 -11.731 25.499 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 1.362 1.502 -0.486 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 7.286 -11.429 -25.784 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 -2.517 18.515 4.431 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 -0.561 -3.515 -1.574 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 -37.390 7.283 22.233 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 28.278 -11.418 -37.397 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 -0.692 -6.795 4.133 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 17.400 -0.535 -11.104 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 16.792 -8.867 -13.230 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 0.248 6.504 -8.667 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 10.713 23.138 -0.968 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 -7.631 4.267 -17.857 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 0.473 7.844 2.121 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 17.045 11.308 6.309 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 -5.432 16.729 4.428 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 -5.319 -2.514 -5.531 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 -4.123 7.352 3.342 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 -2.936 3.661 1.500 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 -1.671 0.385 4.776 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 -3.097 5.328 -15.833 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 -1.999 8.419 16.769 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 -1.169 2.902 2.843 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 -14.619 -3.404 7.333 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 0.949 1.890 3.376 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 -3.011 4.420 -9.995 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 -21.679 -7.135 -29.934 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 -4.808 -15.644 14.060 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 5.266 -0.354 0.397 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 7.107 2.461 2.795 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 -4.678 -17.427 -15.285 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 3.666 -0.359 9.249 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 -15.796 7.814 8.597 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 -11.521 21.435 -25.200 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 -6.288 -1.855 -3.839 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 16.814 8.403 -11.171 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 17.113 23.828 -11.338 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 -8.526 2.752 -1.742 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 -20.447 -3.725 -2.235 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 -0.935 6.142 14.436 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 -3.522 5.977 -2.471 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 -5.740 -4.741 -10.050 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 -7.995 5.390 3.188 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 -0.652 0.579 1.469 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 -1.693 16.894 12.990 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 9.974 -12.787 9.390 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 2.773 3.292 3.788 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 5.030 -14.620 11.289 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 20.773 16.630 -19.199 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 -0.835 -8.771 5.754 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 -0.554 -12.388 9.740 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 -7.606 -11.210 3.611 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 -0.437 -0.298 -4.313 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 10.166 6.417 2.251 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 -3.733 -14.002 3.180 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 1.408 -5.111 -2.534 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 -16.608 -7.036 -0.997 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 7.058 -17.931 -4.369 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 5.520 -0.827 -0.595 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 1.865 1.425 -13.715 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 -26.024 24.599 0.408 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 -9.636 5.251 3.347 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 12.812 5.456 -29.728 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 -34.975 8.037 22.023 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 -5.411 1.268 -3.573 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 -0.368 -13.156 2.903 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 -3.650 -8.834 -14.195 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 2.380 -0.455 -0.909 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 13.657 5.526 -7.020 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 12.637 -19.744 7.294 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 8.536 3.243 -5.666 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 -4.928 2.971 -3.771 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 11.124 -6.489 1.096 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 -1.319 -1.122 1.909 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 7.734 -6.509 -4.004 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 3.005 -5.618 -3.346 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 -2.693 1.166 -3.798 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 6.077 3.997 -1.318 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 22.664 9.310 -14.286 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 -0.502 2.980 -2.885 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 -0.224 7.594 -2.146 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 5.826 7.858 -0.657 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 1.416 -6.051 -0.342 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 16.168 -6.025 1.419 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 -16.485 2.183 -6.764 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 -2.890 5.687 -1.292 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 5.188 3.424 -6.348 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 -7.829 10.219 -7.388 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 4.524 0.375 -3.323 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 -0.745 -8.613 -34.364 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 20.754 -6.600 24.074 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 0.919 1.366 2.306 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 -2.274 -7.005 -19.586 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 13.152 22.865 13.819 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 1.036 0.111 -0.161 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 -35.989 7.747 -1.736 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 0.474 21.494 -18.667 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 -2.002 -2.777 3.809 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 4.383 16.678 10.859 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 2.073 -4.684 5.870 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 0.313 5.887 1.673 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 5.836 -2.742 10.099 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 4.133 1.528 5.879 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 3.931 -0.048 3.159 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 1.847 25.001 -1.803 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 26.376 -0.891 -0.175 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 2.289 -6.125 1.327 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 -16.909 -4.891 3.390 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 11.013 -5.651 5.591 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 0.558 -6.268 -1.698 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 1.386 -1.752 0.115 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 1.077 -0.500 -13.490 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 0.341 -5.254 -1.841 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 -16.893 -2.031 5.555 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 3.590 3.235 -0.385 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 2.392 -1.788 1.189 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 -39.279 -9.055 -4.486 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 3.428 -7.336 -8.415 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 -1.548 1.215 -3.647 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 -4.036 -12.540 -15.294 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 -2.454 5.509 0.579 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 -3.023 -4.858 5.334 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 -0.297 -9.339 -15.167 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 14.423 -9.046 10.553 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 5.591 -1.461 -1.890 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 6.371 -6.001 -2.880 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 12.198 -4.252 -0.900 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 -0.773 2.293 4.123 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 -0.336 2.564 4.575 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 -34.523 4.045 -10.234 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 -6.202 -1.205 -2.077 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 0.075 6.029 2.012 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 -14.809 2.447 -0.807 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 -0.076 -1.825 4.058 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 12.869 3.232 9.946 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 -7.217 -8.517 19.262 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 -2.448 2.344 4.873 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 -15.816 1.124 3.365 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 -6.771 5.494 6.812 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 -1.615 2.707 6.420 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 -15.478 13.627 -3.193 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 8.501 13.614 15.672 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 0.340 6.406 1.852 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 -11.920 31.259 -13.188 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 9.160 20.219 2.853 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 -4.889 -1.469 -2.938 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 -6.389 -18.326 -9.578 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 -3.139 -9.980 2.257 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 -3.775 -6.924 0.779 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 -13.838 -6.063 -4.459 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 8.239 6.489 -0.025 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 -1.515 -4.945 2.646 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 -6.923 -17.707 4.130 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 -5.716 -6.457 4.447 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 -4.210 -0.274 -0.133 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 1.123 -2.448 -18.613 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 -2.989 -2.077 43.968 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 -0.512 -5.350 -0.998 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 -5.250 4.871 -3.083 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 -7.907 -13.584 0.163 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 0.348 2.416 2.209 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 -0.104 -6.450 -24.654 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 3.065 9.596 -12.358 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 -2.553 0.367 -5.133 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 13.065 -5.226 -4.518 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 27.742 -6.457 -15.188 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 -5.603 -1.212 -2.364 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 -7.904 0.010 -28.321 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 -10.971 -2.161 -12.082 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 12.038 -2.225 -2.303 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 -3.970 -7.486 29.118 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 16.821 18.480 22.291 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 -0.362 -3.070 -3.546 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 3.458 12.688 -15.883 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 -0.428 3.488 -12.138 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 -8.899 0.366 -5.773 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 -2.081 13.815 12.630 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 8.133 -2.658 -15.601 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 -2.868 -4.156 -1.094 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 18.464 -1.799 16.944 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 -2.534 -0.579 -11.615 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 -1.979 2.803 1.455 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 -3.077 15.872 10.073 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 7.067 -5.190 9.363 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 -5.516 0.637 5.574 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 -11.955 -6.237 -11.509 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 -6.033 -10.653 -3.360 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 -0.169 -1.056 -6.856 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 3.829 0.136 -8.596 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 -5.110 0.906 -5.986 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 1.268 0.059 6.856 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 6.993 8.911 1.975 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 -6.197 -9.120 7.808 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 2.170 -2.139 1.700 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 13.376 9.989 5.975 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 -1.074 -1.089 -14.211 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 -6.420 -0.065 5.242 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 -6.265 -2.499 -6.263 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 -14.169 -2.103 7.058 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 7.882 1.845 -1.196 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 4.555 12.212 27.172 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 10.179 -5.830 13.505 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 4.914 -0.064 5.041 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 -11.462 -8.496 10.410 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 1.750 -1.832 -5.179 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 6.977 4.472 4.677 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 14.145 21.697 28.235 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 6.567 -21.854 3.120 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 -1.292 -6.731 0.799 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 -8.088 -13.955 -18.894 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 -4.123 -11.791 -5.756 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 -0.309 -3.831 -3.826 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 -14.293 -5.608 -3.463 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 -3.958 -28.267 -22.448 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 -0.918 -2.146 -11.602 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 12.714 11.136 0.098 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 1.473 -0.378 -8.752 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 1.208 3.605 1.017 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 3.522 -1.296 7.021 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 15.946 -0.725 13.569 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 2.825 7.317 -1.401 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 15.826 20.096 8.781 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 18.795 10.982 -32.284 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 8.024 3.984 -0.356 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 7.619 9.068 7.048 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 9.697 -8.109 -1.308 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 -0.259 -7.327 3.305 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 3.572 -6.712 -10.198 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 -3.039 -26.210 2.006 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 0.080 2.759 2.613 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 -1.392 18.335 -16.096 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 19.534 12.076 4.079 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 0.010 -1.434 1.765 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 12.672 -11.908 1.327 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 7.400 -7.399 3.452 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 2.891 4.519 -3.505 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 9.010 -5.903 -10.250 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 -8.302 -1.226 1.632 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 -4.696 -2.667 4.477 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 -2.386 -5.411 1.624 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 -5.090 -16.304 -5.749 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 2.063 5.204 -1.073 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 0.440 -0.343 1.720 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 -2.594 9.489 -1.063 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 2.010 3.585 -0.482 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 12.126 -7.095 5.795 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 0.713 -5.278 6.178 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 -2.149 9.000 0.146 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 -10.736 11.671 -6.914 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 6.786 15.839 -11.171 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 3.976 -0.488 -0.815 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 9.531 -2.612 -4.114 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 -0.224 -0.132 1.440 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 0.924 3.781 0.656 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 -5.650 -4.476 -2.521 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 -3.267 -0.669 -5.870 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 0.193 -4.739 -0.854 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 -4.976 -10.831 0.413 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 -1.367 7.167 -7.945 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 14.346 -4.057 -0.778 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 6.860 15.650 3.848 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 -15.364 -29.387 -3.416 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 -4.374 4.034 -0.223 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 0.563 6.734 -4.931 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 -10.950 -5.401 6.291 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 -2.555 0.442 4.511 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 0.603 6.389 -6.962 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 -22.475 7.991 1.052 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 -0.552 -2.134 -1.791 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 20.189 -26.296 12.447 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 -23.852 -14.714 5.958 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 -5.079 -2.046 -1.503 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 -1.778 -5.267 0.444 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 -19.347 20.631 -0.902 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 5.696 -3.819 -0.666 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 -11.799 -1.741 1.443 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 -8.757 -6.510 7.729 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 -5.450 0.969 0.210 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 -6.904 4.890 -4.098 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 -12.787 13.247 27.807 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 0.293 0.493 4.089 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 -3.227 -20.615 2.017 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 3.733 -0.076 5.367 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 -1.071 0.653 3.998 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 17.602 -0.043 -16.924 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 5.284 10.466 4.531 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 -4.397 1.886 -4.044 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 -14.851 10.791 -9.178 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 -6.365 3.286 24.763 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 1.657 -6.544 6.444 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 2.207 4.687 -1.466 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 8.064 -4.282 3.621 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 3.227 -5.179 2.108 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 5.478 -11.657 0.998 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 -10.172 31.169 3.350 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 -0.519 0.874 2.038 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 7.389 4.933 -1.365 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 30.933 13.235 10.706 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 11.692 -1.337 0.309 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 15.400 -3.092 -4.983 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 7.302 -6.648 0.576 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 5.283 4.462 5.043 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 0.583 -3.269 -2.108 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 1.036 5.340 -5.550 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 -7.275 -2.060 0.793 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 -3.362 8.741 10.700 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 -8.198 -3.997 -1.046 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 -4.620 3.248 14.195 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 -11.434 24.974 13.390 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 -22.787 -9.090 9.014 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 10.413 0.666 2.875 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 5.476 16.901 1.900 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 -3.016 -8.948 -2.086 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 2.645 -0.326 -1.451 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 4.220 -5.274 -3.441 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 4.808 -4.120 -0.147 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 3.841 2.000 -0.935 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 21.544 16.771 9.323 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 3.713 -4.137 5.043 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 -4.315 2.875 7.463 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 -12.680 20.238 1.465 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 18.555 -1.496 7.356 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 1.182 -2.061 -0.055 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 -5.573 -6.588 2.133 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 -2.576 -3.462 -15.572 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 -3.685 -1.965 -6.957 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 15.327 1.691 -0.914 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 -0.207 -1.110 8.816 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 -7.960 1.893 -8.159 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 3.014 1.192 -23.491 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 1.301 7.979 1.452 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 4.619 4.940 3.159 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 2.833 -3.384 1.178 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 -0.550 2.062 0.071 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 2.421 -2.457 0.741 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 1.540 -3.735 2.876 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 -8.860 -0.149 5.663 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 -1.179 -2.518 7.452 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 -9.576 -7.098 8.746 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 5.390 -10.590 -3.806 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 -2.612 1.617 1.688 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 1.218 1.049 5.453 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 -10.303 3.166 -3.807 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 -0.390 -2.205 -4.630 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 -6.468 17.053 0.559 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 -18.420 2.465 -8.807 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 -2.254 -4.672 -0.192 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 -4.564 -3.306 -3.881 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 3.423 17.074 26.161 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 0.021 -0.009 1.506 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 -3.189 -8.506 22.604 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 -19.406 -5.053 -9.805 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 5.928 2.753 -5.210 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 7.280 -4.409 2.823 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 14.295 8.700 -3.754 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 6.640 -1.902 3.111 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 -5.155 -5.317 22.225 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 -5.911 19.962 -12.797 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 -1.146 -1.371 6.441 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 7.986 -11.187 11.538 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 2.818 1.183 -3.159 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 -1.375 7.849 3.310 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 -4.811 -2.314 -40.519 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 -1.389 -6.570 0.562 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 -2.999 -4.511 10.319 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 10.098 17.118 6.954 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 -5.882 -9.359 10.943 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 10.917 0.120 -6.134 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 -4.730 3.394 -3.717 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 -21.063 12.288 0.130 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 5.041 6.266 -4.806 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 5.545 4.699 -7.149 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 1.282 9.188 -2.192 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 -1.091 -7.681 0.035 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 6.468 -5.399 -3.160 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 -4.582 -24.657 -0.963 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 -2.614 -3.429 -3.910 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 6.029 -12.391 -7.284 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 2.248 -5.424 -6.080 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 -3.106 -0.141 4.912 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 12.136 25.382 3.694 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 8.003 -6.819 11.578 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 -1.090 2.741 1.194 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 -14.234 7.590 -6.699 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 -1.273 -11.878 7.373 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 2.510 3.217 1.719 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 -0.427 8.378 6.023 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 5.585 11.170 -22.745 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 4.930 5.746 -0.327 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 0.564 4.486 -2.324 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 7.304 2.170 3.693 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 -5.077 0.523 4.961 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 0.316 -36.854 16.381 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 -1.445 21.229 -14.673 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 -0.632 3.190 -2.548 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 28.154 7.562 -24.500 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 -13.752 4.129 6.743 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 -2.214 -0.603 3.473 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 10.999 38.280 20.683 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 7.188 3.082 -4.733 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 -3.607 5.683 1.701 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 -8.819 3.708 1.561 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 -3.690 5.100 4.025 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 4.227 -0.793 5.132 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 0.904 2.333 0.793 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 6.536 -2.080 6.707 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 2.739 -7.113 3.407 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 16.874 -13.562 18.994 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 -5.708 -2.591 9.068 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 0.899 -3.756 2.239 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 1.433 -9.291 8.164 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 -7.480 5.404 -24.490 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 -3.481 1.917 0.521 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 -14.845 -17.932 -8.545 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 17.296 -11.488 2.099 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 3.989 0.461 1.862 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 0.803 2.857 20.578 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 -11.067 -10.180 -12.062 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 -0.949 3.230 3.552 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 -3.985 7.340 4.330 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 8.532 18.020 12.111 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 -2.221 -1.024 3.308 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 -21.834 -10.873 1.902 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 4.260 4.464 -23.883 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 0.551 -4.018 -2.193 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 12.280 5.647 5.872 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 14.453 7.264 15.648 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 -0.030 -0.638 1.135 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 2.403 -2.075 -2.334 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 0.900 -1.826 4.656 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 0.282 -1.644 -1.029 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 -4.719 3.506 6.299 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 -3.100 2.784 -24.002 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 2.460 -2.187 -6.617 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 6.596 2.980 -2.847 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 -0.586 -4.805 -6.466 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 -3.364 3.086 1.973 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 14.602 -10.089 -19.129 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 -17.016 5.685 6.857 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 -0.668 -4.886 -2.413 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 5.240 12.184 -1.493 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 -21.119 26.509 -18.880 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 1.328 -5.303 2.169 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 1.373 2.072 -2.933 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 8.456 -5.241 6.530 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 0.736 0.565 0.811 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 -30.725 5.996 -18.108 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 12.110 -1.845 0.678 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 -3.320 -4.861 2.030 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 0.685 3.722 -13.614 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 -3.792 13.923 9.366 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 0.229 -2.706 -0.949 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 -12.651 7.895 -9.927 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 14.182 -6.625 28.939 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 -4.678 -1.443 -4.273 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 -3.897 -7.067 1.608 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 -18.365 -5.316 -3.420 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 4.804 -3.025 3.222 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 5.289 -23.462 -7.422 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 -31.626 -28.079 -21.804 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 -3.238 4.112 -2.900 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 -1.528 -0.010 -4.452 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 4.495 6.858 5.166 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 0.311 -0.597 -6.277 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 6.436 8.754 -5.343 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 13.800 22.548 14.602 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 -3.745 -5.659 -1.224 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 -5.525 -16.057 -19.367 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 -0.700 1.520 1.240 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 3.779 -1.073 1.657 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 -15.078 -12.434 1.783 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 9.383 -25.565 -3.623 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 -1.181 2.762 -3.842 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 -7.673 0.131 3.762 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 -1.990 1.142 -14.721 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 -1.148 -2.741 4.029 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 -4.365 2.805 -0.650 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 -2.434 -1.223 2.161 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 6.401 0.814 0.751 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 11.280 8.658 9.178 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 -5.000 -10.034 -22.862 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 -6.177 -1.853 2.930 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 5.829 5.384 -1.115 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 -4.497 -13.980 -13.560 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 -3.945 -6.389 -3.858 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 -11.616 6.727 12.997 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 -9.656 12.689 20.088 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 1.137 2.403 -6.022 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 -7.809 -8.702 -11.135 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 4.375 -3.898 0.582 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 3.023 2.997 -6.540 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 -6.559 -14.919 -12.387 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 -0.203 -8.205 -4.963 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 6.612 3.296 -0.931 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 4.803 -9.027 7.108 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 9.234 13.494 -8.513 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 -6.382 1.838 -3.896 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 -2.032 -6.603 1.076 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 25.569 21.138 16.997 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 0.570 -1.186 3.564 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 15.390 -4.850 -4.644 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 6.608 -4.125 -1.655 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 -5.378 -2.895 2.050 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 -5.036 8.593 -24.004 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 -22.742 -1.993 -8.824 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 2.888 1.711 -2.679 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 4.512 4.547 -4.600 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 1.786 4.603 -11.126 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 0.738 -9.110 0.740 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 7.484 0.000 1.443 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 21.567 -19.463 -1.733 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 3.584 1.728 0.931 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 -3.255 -2.904 -6.987 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 -2.267 8.320 3.016 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 1.290 4.420 3.785 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 -2.608 12.273 4.000 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 -3.133 -0.065 11.217 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 -0.354 -4.792 -0.948 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 -18.263 5.354 -0.647 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 -5.104 -22.765 11.930 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 2.601 9.569 1.368 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 3.762 5.186 3.335 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 -7.517 0.766 4.751 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 1.883 2.020 1.131 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 6.718 -1.082 -0.952 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 -5.744 8.415 4.818 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 -7.108 1.308 3.513 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 -0.475 3.699 8.839 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 -0.941 4.752 8.798 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 0.064 -3.420 -2.351 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 -0.777 22.556 -8.002 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 -18.701 -3.907 1.760 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 0.371 7.836 4.805 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 14.656 1.511 7.437 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 18.269 27.617 3.522 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 -1.327 1.581 3.382 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 -2.479 7.612 9.903 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 -11.332 -13.653 -12.386 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 -2.703 -3.761 4.387 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 -1.759 14.403 3.769 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 3.668 9.965 14.834 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 0.849 -1.618 -0.927 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 -1.959 3.127 1.692 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 -1.811 -0.980 -6.204 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 4.166 -8.639 -0.299 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 22.041 -12.123 0.204 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 -1.640 -8.551 15.760 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 -4.761 1.639 -0.761 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 8.431 -19.971 -9.908 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 4.007 7.873 -5.419 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 -1.297 -0.064 1.244 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 -26.403 -7.924 -9.292 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 -11.810 -3.573 -3.103 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 0.319 0.829 -6.746 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 -13.416 -11.066 -33.602 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 3.111 2.839 -2.014 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 5.096 -0.373 4.841 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 1.227 -25.832 22.176 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 25.630 -9.576 -18.103 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 -3.816 -1.847 -3.616 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 -12.893 -3.538 -2.850 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 0.650 4.479 5.026 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 -0.250 0.072 0.819 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 -13.047 20.486 -12.657 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 11.206 -2.212 8.205 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 6.252 -1.086 -10.240 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 14.147 -5.830 -26.183 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 6.209 -11.258 -4.400 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 1.878 2.998 7.991 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 -5.756 -12.958 -12.241 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 22.884 -6.215 15.386 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 0.475 -6.601 1.828 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 5.598 -13.509 -0.737 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 2.837 -7.859 8.596 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 -4.109 -7.763 6.098 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 3.262 -5.404 18.584 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 -13.025 6.903 3.846 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 1.095 -1.954 5.166 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 1.228 -11.037 -2.241 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 5.262 6.001 19.716 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 2.168 0.230 0.314 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 9.900 11.765 -8.101 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 -4.385 6.687 16.231 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 -2.362 8.011 0.905 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 -3.589 -3.798 12.290 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 -6.953 5.019 2.146 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 0.291 -4.366 -1.875 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 -18.844 26.384 -25.079 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 1.610 -5.155 -0.311 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 10.091 -3.461 -0.239 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 -8.738 -8.760 21.183 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 11.954 -7.252 3.683 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 -5.823 -5.112 -4.584 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 9.797 -6.163 4.059 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 2.846 -13.476 1.493 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 0.257 8.164 2.241 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 -2.476 9.296 -4.855 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 -4.975 9.536 -3.011 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 2.366 -4.226 5.460 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 -13.284 2.962 -19.499 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 16.390 -1.754 -7.354 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 -2.471 8.554 0.627 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 6.624 13.154 -0.736 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 -6.917 7.369 -7.737 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 -4.000 0.604 -1.162 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 5.067 -5.862 9.266 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 -10.624 4.897 -7.941 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 2.204 -3.708 4.228 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 -9.786 6.327 -1.920 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 13.662 -6.224 -11.155 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 -3.093 -4.996 8.485 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 12.880 17.496 4.748 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 -3.563 -13.331 2.256 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 5.118 -2.814 2.257 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 -3.998 -1.489 8.586 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 4.158 -11.822 0.649 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 5.295 5.997 0.702 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 1.170 -1.552 -1.168 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 1.933 -16.309 -4.416 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 -0.673 -1.646 1.990 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 0.795 -8.973 20.045 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 -19.421 0.146 -20.128 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 -2.976 -5.683 6.237 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 0.625 13.526 6.223 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 -3.297 19.087 1.630 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 -1.297 -5.557 -3.158 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 -2.441 -13.733 3.185 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 -2.516 -6.099 -2.698 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 8.501 0.468 -1.143 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 15.041 -14.856 -9.055 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 12.562 -10.050 -2.595 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 3.078 6.281 0.356 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 9.091 1.039 -2.919 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 2.811 9.699 3.703 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 -5.362 0.800 -0.558 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 0.223 3.926 -26.354 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 -21.112 5.594 -10.630 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 -0.598 -0.235 0.068 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 0.503 0.558 1.367 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 -14.562 -5.933 3.159 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 6.973 -0.873 -5.580 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 19.505 7.307 3.040 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 3.327 1.056 -7.235 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 -6.368 -1.322 9.406 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 27.153 6.888 -20.593 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 18.160 9.559 -9.794 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 3.424 -2.522 -1.895 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 10.873 10.589 -9.366 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 7.134 4.297 -5.513 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 -6.398 -1.870 -1.828 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 -3.635 2.980 1.788 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 5.093 -12.225 -5.982 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 2.560 0.057 -0.500 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 2.270 1.590 0.693 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 -4.841 12.697 6.251 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 -4.072 1.851 3.897 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 9.623 -20.833 -26.320 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 0.023 -15.810 23.209 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 -1.906 0.436 1.745 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 -12.499 -11.147 3.569 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 -3.666 11.444 11.685 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 -5.311 -3.209 -2.167 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 -9.977 0.822 1.618 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 -18.553 5.863 6.052 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 2.434 -8.394 2.328 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 7.452 -12.825 -3.794 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 -10.231 15.212 -4.352 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 -1.404 2.019 3.033 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 -3.868 11.847 -1.127 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 -0.651 0.812 -2.195 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 -2.072 1.887 -6.734 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 -11.990 6.833 -16.263 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 -1.946 -6.962 3.508 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 5.619 4.090 4.877 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 -15.801 10.967 10.572 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 18.314 10.525 1.621 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 4.263 2.175 1.568 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 1.482 8.339 5.440 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 6.648 6.715 0.941 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 0.194 -2.939 0.460 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 -7.981 -2.623 -14.759 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 25.984 6.919 -4.765 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 2.331 0.532 2.508 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 5.596 -14.222 -2.586 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 7.027 -9.637 -15.354 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 -1.503 -0.834 2.336 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 1.859 -1.200 23.347 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 0.364 -0.835 14.610 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 6.025 0.328 1.166 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 34.914 -14.786 12.291 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 -12.760 7.681 -20.647 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 -0.375 1.118 4.470 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 -6.954 -1.836 -1.207 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 5.309 -25.373 -23.171 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 0.163 -1.464 -5.507 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 3.121 -3.313 2.911 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 -39.420 -11.129 -8.143 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 -7.363 -1.618 -5.246 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 19.730 -6.052 7.383 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 19.888 -17.430 -23.033 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 2.480 -2.102 -3.793 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 -16.968 1.106 4.151 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 3.595 -17.458 -10.330 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 -4.138 6.494 6.013 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 -3.098 5.484 7.654 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 29.072 -3.600 16.842 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 -4.622 -4.037 -2.887 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 -20.246 -2.629 7.295 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 1.513 13.414 -17.013 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 -0.745 2.083 -0.405 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 5.391 15.149 -1.555 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 9.767 5.586 -5.543 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 2.757 -2.088 -7.823 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 -6.103 -2.119 -8.679 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 15.094 -9.600 0.217 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 -2.216 6.111 4.016 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 -8.141 3.033 5.143 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 -14.744 10.853 10.465 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 9.707 -6.009 3.119 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 -3.925 -15.940 -18.054 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 -10.370 19.720 13.608 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 -3.394 0.174 -2.201 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 -20.294 17.092 -20.455 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 13.616 12.244 24.210 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 -6.409 3.428 -6.535 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 -1.130 4.493 0.799 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 -4.471 -12.159 19.187 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 0.719 2.182 2.667 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 13.884 -26.821 -6.014 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 11.458 -5.135 4.312 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 1.643 -0.554 -0.514 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 15.791 10.147 0.888 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 11.768 9.032 0.278 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 6.021 -2.184 1.379 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 -9.393 -11.085 5.828 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 21.050 -5.618 -4.143 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 -3.048 -5.460 4.343 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 12.218 -9.695 11.394 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 -0.079 10.442 -0.855 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 4.686 2.608 1.520 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 16.526 3.480 7.819 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 -7.047 1.951 -4.912 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 -4.147 -2.648 -5.507 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 0.691 -20.645 -5.589 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 -18.427 0.404 -7.400 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 0.146 4.186 2.513 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 -21.159 10.377 3.980 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 7.708 12.333 -1.958 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 -4.313 3.395 -1.630 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 -11.407 6.933 0.117 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 2.520 8.423 10.874 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 -0.344 -2.002 1.705 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 1.553 -5.556 -13.025 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 -4.738 2.673 1.189 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 0.118 1.201 -0.972 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 -21.803 2.437 -1.455 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 20.366 -0.774 -0.539 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 2.631 -1.911 2.478 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 -12.200 1.101 13.919 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 -1.056 0.147 6.864 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 -1.798 -3.299 0.283 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 -11.755 -13.861 -8.426 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 -3.946 -5.566 17.644 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 0.007 7.354 3.994 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 1.248 25.307 2.664 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 9.876 -27.389 25.829 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 0.356 0.491 -1.419 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 -7.551 23.916 -13.592 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 10.732 24.841 -0.946 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 2.919 2.974 -2.802 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 10.096 0.228 2.514 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 -12.247 1.847 14.192 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 -2.409 -3.096 -0.308 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 -7.518 -2.079 -4.884 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 -4.057 -1.876 -2.217 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 -0.480 -10.600 -5.748 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 1.605 -1.825 -2.398 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 -0.915 -19.969 -11.188 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 6.759 -2.510 1.039 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 15.738 -10.610 -6.259 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 11.431 -5.228 1.038 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 2.421 -0.996 1.133 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 -2.010 -4.438 17.852 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 -8.963 -3.555 48.438 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 10.372 -0.358 -7.214 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 -20.487 -5.151 -7.133 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 7.914 17.446 13.956 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 -6.635 2.660 0.717 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 -5.244 1.898 8.349 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 4.272 11.483 -0.029 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 -4.969 5.137 -3.937 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 -11.475 16.114 7.725 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 -9.266 20.593 16.897 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 -0.761 8.082 -2.880 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 0.266 0.460 10.164 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 6.209 2.936 4.392 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 -5.133 4.179 -2.790 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 19.848 -30.402 -1.257 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 -13.183 -9.408 7.078 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 3.080 -1.379 2.258 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 8.044 -7.295 3.967 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 1.700 -3.782 6.587 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 -5.664 0.961 0.467 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 -16.476 3.274 7.306 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 1.616 -1.919 0.741 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 -0.252 4.125 0.341 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 21.010 10.420 -11.301 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 -21.518 -1.595 11.491 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 -5.550 -2.486 6.556 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 -6.200 9.512 1.435 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 -0.899 12.725 9.154 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 -0.547 -3.777 -0.914 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 4.542 -18.835 0.082 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 15.870 5.606 -2.399 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 2.313 0.395 4.765 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 -4.945 -5.305 8.672 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 2.157 -10.287 -10.857 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 3.448 -0.262 0.598 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 13.821 4.122 8.351 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 -19.441 16.981 -18.118 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 -0.511 1.653 -4.472 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 -9.261 -13.781 16.450 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 -2.064 -1.902 -0.230 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 0.961 3.073 0.070 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 2.019 7.021 -4.300 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 -1.919 -11.462 15.461 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 -3.776 4.435 -1.829 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 23.611 -2.011 9.107 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 8.218 3.118 -24.882 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 -2.496 -4.185 1.315 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 -2.843 12.063 13.197 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 -5.713 -12.140 3.892 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 -1.147 -0.415 3.722 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 -12.932 -22.131 18.966 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 1.379 1.573 0.911 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 2.695 1.236 1.131 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 -0.949 -5.301 -5.635 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 -20.117 19.866 5.080 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 -4.597 -0.363 -11.657 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 -28.736 -8.106 -24.211 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 18.586 -22.560 -33.348 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 4.760 -1.292 -6.359 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 -16.332 25.347 -2.864 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 -1.923 9.426 -3.996 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 -1.893 -2.107 -8.019 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 -15.086 -9.171 27.931 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 -19.953 32.994 13.079 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 0.870 3.441 0.660 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 -9.597 -12.765 -10.302 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 23.446 -6.605 -6.567 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 -0.141 1.923 4.850 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 -10.520 20.685 11.358 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 -0.241 -9.571 10.390 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 -6.300 1.346 3.440 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 11.474 -17.413 2.431 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 -2.675 11.205 13.882 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 -3.333 0.992 -0.788 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 -4.875 -14.566 -27.909 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 -26.967 -10.655 -13.938 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 -0.533 -0.910 7.863 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 -3.422 42.955 -2.449 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 -1.248 22.715 10.437 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 1.260 3.674 -0.334 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 0.394 6.897 -1.412 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 -2.943 4.647 23.992 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 3.099 6.047 9.171 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 3.652 -15.268 -0.486 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 -11.506 11.590 -6.398 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 -4.948 1.571 -2.677 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 -6.938 -1.231 -4.394 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 -0.257 1.966 4.376 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 -3.613 -7.258 -5.480 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 -7.146 -18.528 4.112 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 -10.434 0.750 -7.878 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 -1.127 -7.177 5.350 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 6.341 -23.731 10.326 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 3.853 6.857 -10.710 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 -3.843 4.225 2.313 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 8.842 12.714 14.176 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 -14.260 -24.218 -11.609 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 0.091 -3.044 -0.103 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 6.072 11.476 2.872 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 2.644 -5.529 -20.505 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 6.555 7.694 1.126 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 -11.029 -10.558 15.419 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 19.157 7.103 -3.137 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 -0.507 4.224 -1.635 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 -0.769 1.366 -1.860 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 -25.029 23.609 14.162 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 -6.651 0.186 -3.526 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 -12.498 15.210 -16.961 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 16.964 7.570 -6.883 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 -7.340 0.988 1.332 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 8.059 -4.847 -0.665 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 -9.854 -5.375 6.553 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 -5.354 -1.393 4.698 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 11.953 5.471 -15.115 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 -8.981 16.133 -12.394 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 -1.501 4.971 2.957 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 -12.987 0.084 15.946 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 2.559 -11.061 -6.748 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 1.547 -3.371 3.239 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 -21.170 -0.603 4.844 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 16.794 -21.833 -12.880 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 5.564 2.777 -1.990 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 -4.455 6.607 -5.346 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 3.054 1.399 6.804 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 4.993 5.317 1.700 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 19.350 8.970 2.089 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 -5.538 11.825 17.242 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 6.815 -2.179 -8.775 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 20.822 -16.481 -5.520 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 -4.080 -2.239 -28.099 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 -9.324 -2.956 6.061 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 17.250 -15.892 21.078 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 -8.141 -3.255 -23.442 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 -5.822 -2.425 5.931 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 3.594 1.083 4.726 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 -4.456 -1.533 3.791 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 2.820 -5.250 7.893 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 -9.053 -5.931 15.487 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 -6.672 -0.945 15.703 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 2.921 1.430 -2.771 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 -7.553 13.681 -17.873 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 6.074 -20.486 -30.372 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 -1.034 -4.995 -0.767 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 -14.925 -10.091 1.053 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 0.375 30.504 20.289 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 7.380 -1.600 0.813 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 0.987 -8.532 -6.592 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 10.571 7.814 3.925 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 0.054 3.839 1.120 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 -11.286 -6.884 -13.633 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 -3.936 14.024 23.036 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 -3.833 -2.034 1.294 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 -4.582 -1.784 1.859 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 -8.306 17.056 -13.719 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 2.006 1.322 2.204 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 -2.469 13.088 0.310 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 -5.432 -3.735 5.489 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 1.543 -0.307 3.692 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 -1.109 7.381 17.022 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 -9.168 2.722 -2.364 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 2.602 -3.047 1.107 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 -0.858 -24.091 -12.041 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 -1.999 5.116 -7.920 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 3.326 1.491 2.071 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 22.001 -3.455 12.618 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 9.009 -1.772 9.912 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 2.989 -1.503 2.343 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 -12.051 -23.341 23.219 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 -5.113 -13.952 5.158 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 4.700 -3.378 1.415 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 1.162 -31.287 11.341 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 13.049 -3.098 7.612 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 3.505 -5.060 -9.239 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 15.770 8.986 -21.035 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 6.080 -15.059 28.677 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 5.213 0.121 -3.842 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 -0.917 -1.743 13.560 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 -0.793 11.714 18.124 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 2.276 1.783 7.922 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 -3.807 6.998 17.327 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 9.716 -28.896 -25.124 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 -3.191 0.030 -1.779 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 -11.105 10.947 -5.051 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 -0.145 1.789 -0.959 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 2.014 0.817 -3.621 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 2.346 7.210 -6.324 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 0.100 6.981 -9.039 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 -5.693 4.308 -4.133 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 -7.003 5.810 -3.647 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 4.132 -4.753 -38.042 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 0.520 -0.644 -15.465 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 -2.215 4.466 -1.884 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 20.570 -1.418 -6.760 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 -2.326 4.238 3.098 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 -16.737 14.363 -3.146 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 9.667 16.457 11.060 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 0.097 7.443 0.184 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 13.247 -7.333 -12.999 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 14.489 8.317 -0.960 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 9.433 3.346 2.328 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 8.092 3.928 10.126 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 16.858 -0.054 1.263 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 0.732 -8.780 1.835 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 -8.819 -6.312 -8.381 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 10.475 -19.863 3.287 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 -2.852 -6.330 -1.757 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 -8.331 -21.647 3.433 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 -9.892 0.963 -25.855 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 1.155 -1.842 -2.319 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 8.499 6.020 -20.328 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 16.898 1.582 8.144 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 0.296 6.528 -3.863 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 -15.888 -0.247 -22.471 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 9.506 23.696 16.034 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 2.151 -7.768 0.211 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 -11.391 -19.430 -7.418 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 16.894 3.889 8.244 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 1.134 -6.939 -1.538 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 -0.457 -12.404 -0.245 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 -1.342 5.105 -4.314 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 2.962 3.635 -3.455 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 1.166 -10.090 -4.192 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 8.959 11.635 8.171 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 -5.450 -0.319 -2.570 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 -16.294 -6.913 -13.583 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 -12.417 -1.028 17.730 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 -0.722 -4.788 -0.758 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 11.107 -19.986 6.474 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 -1.630 -4.502 -23.341 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 -0.440 1.569 1.378 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 3.484 17.431 2.519 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 -4.771 -2.099 -2.422 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 0.297 2.588 -0.582 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 -15.586 5.598 16.982 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 -2.595 -6.913 -22.241 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 6.955 -3.930 -3.566 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 -0.462 2.828 -0.381 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 -2.568 13.120 11.934 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 0.597 -1.740 -0.177 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 -15.998 -0.442 -7.208 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 -1.329 -8.240 16.361 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 0.931 -6.087 -4.234 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 2.020 -6.584 -9.073 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 5.871 -15.160 -4.055 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 -2.523 0.658 3.658 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 28.452 -3.237 8.816 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 -2.512 20.396 8.983 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 -4.774 -3.389 -0.327 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 13.672 16.725 -2.441 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 -35.734 -21.667 -22.143 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 -7.729 -0.557 0.075 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 -20.633 -33.176 2.907 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 23.197 -21.645 1.597 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 1.088 6.455 4.489 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 7.677 19.144 0.589 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 15.284 -17.676 6.552 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 -3.811 -6.215 2.045 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 5.601 -7.744 -24.411 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 -16.080 1.444 6.179 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 6.071 1.873 6.790 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 0.618 3.019 -2.826 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 0.815 10.384 -3.384 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 -3.865 -2.251 3.961 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 -31.539 -7.341 -13.905 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 -2.561 2.662 -6.965 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 2.138 2.946 5.644 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 9.580 -0.874 10.883 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 -0.676 1.000 3.556 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 1.241 -4.796 0.296 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 2.052 -14.132 13.597 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 17.408 6.367 -0.135 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 -0.327 -4.202 -1.026 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 -22.032 -15.456 -16.328 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 9.082 8.796 -1.509 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 2.327 -1.996 -0.566 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 -7.603 -8.693 2.474 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 -19.777 0.617 -6.929 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 1.449 6.940 6.103 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 4.352 13.142 4.908 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 1.206 13.845 6.241 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 5.633 1.355 0.576 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 24.167 -8.032 -19.490 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 -0.429 10.466 12.949 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 -0.124 -4.461 7.994 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 -3.834 4.644 20.537 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 -2.227 0.746 10.716 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 4.033 -6.279 5.263 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 19.923 -8.635 -21.992 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 3.580 -4.887 -6.040 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 -0.876 8.009 6.249 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 -5.253 11.301 0.180 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 -2.306 8.235 5.639 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 2.894 7.745 6.107 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 -5.396 -24.334 26.151 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 8.832 -10.831 -12.278 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 0.767 7.218 -0.973 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 6.736 11.258 4.631 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 -6.752 10.469 1.092 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 -0.492 0.515 2.755 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 -1.152 -12.673 11.909 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 -18.060 -5.148 -5.220 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 0.141 4.315 5.315 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 -1.910 3.881 -15.613 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 -0.774 4.259 -7.839 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 4.042 -7.423 2.573 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 -7.038 2.767 11.870 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 5.381 -20.473 10.054 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 -7.116 2.577 2.028 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 0.096 19.640 -1.278 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 -7.364 -8.021 -6.826 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 7.994 -0.220 0.239 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 -14.440 0.216 -3.296 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 9.150 1.873 -4.942 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 -9.293 -2.609 0.530 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 -11.761 -5.104 5.089 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 -3.067 5.751 -11.528 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 4.849 5.293 -0.895 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 3.278 -0.478 -0.224 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 1.994 8.710 -6.670 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 4.369 0.628 0.996 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 12.162 -8.808 -17.834 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 4.766 -1.314 -6.587 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 3.132 0.989 -4.369 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 7.494 2.113 4.099 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 2.758 0.877 -7.309 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 -8.886 -0.695 0.399 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 -4.422 1.711 2.536 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 -14.247 -1.167 -3.146 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 -6.999 0.667 -1.355 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 -6.392 1.017 0.601 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 -18.765 11.523 11.396 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 -0.550 2.714 6.433 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 0.862 -9.783 -10.352 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 17.754 -6.095 -14.942 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 -1.823 -3.802 1.269 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 -4.678 0.383 -24.157 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 -32.634 -6.367 -2.320 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 0.920 7.517 -2.827 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 11.201 8.836 -21.354 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 -13.894 16.617 -10.056 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 3.937 -1.747 -1.223 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 5.459 9.340 2.988 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 -22.978 6.299 4.181 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 -1.358 9.172 -1.765 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 -4.045 11.606 0.909 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 -0.142 10.849 -1.079 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 6.576 0.895 -5.789 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 31.998 4.899 2.345 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 -10.264 22.252 -2.129 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 -0.996 8.365 -0.388 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 -4.601 -0.217 -6.211 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 -7.028 8.153 -2.699 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 -0.965 5.801 0.560 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 7.057 0.579 9.803 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 3.482 6.666 6.690 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 13.804 11.416 4.479 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 1.597 -8.761 9.355 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 -8.507 -1.597 -3.285 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 5.472 0.513 -5.280 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 -14.663 -12.480 0.880 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 18.089 3.176 -8.827 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 -0.212 6.520 0.559 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 -19.285 18.017 -3.479 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 -4.498 -2.810 -21.539 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 4.473 1.595 6.555 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 12.204 4.902 -4.733 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 7.829 0.219 13.743 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 6.214 -0.733 -7.153 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 -2.649 -5.488 -11.299 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 11.517 8.739 -15.457 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 -2.634 1.149 -2.771 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 -22.662 -10.461 -19.667 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 31.208 18.609 23.083 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 3.332 4.244 0.437 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 -0.088 7.004 0.073 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 -4.299 9.873 -1.183 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 4.082 3.243 -0.077 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 10.369 7.778 6.848 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 1.633 -0.081 -6.721 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 0.151 -5.662 -2.798 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 5.217 22.386 11.213 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 36.616 10.308 13.002 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 -4.358 -3.890 4.639 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 4.188 -1.614 3.413 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 0.462 -36.893 2.747 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 -0.788 -1.232 4.841 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 0.714 9.418 -17.885 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 -30.194 -18.681 -6.863 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 1.506 -0.547 -7.382 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 2.942 13.022 -2.168 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 -7.026 -8.720 -8.823 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 -3.165 1.263 -2.149 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 -3.545 -4.884 15.844 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 10.676 12.093 -3.057 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 1.388 -6.256 -0.481 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 0.826 -7.954 -2.086 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 0.486 -8.300 -3.136 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 2.539 -0.425 8.324 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 -28.013 3.502 3.459 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 12.879 -2.638 -12.778 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 1.238 3.908 4.458 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 19.205 -12.489 -1.871 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 -15.368 -9.769 2.436 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 1.965 1.485 -0.796 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 2.206 24.038 3.438 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 1.913 1.044 -2.779 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 3.450 -0.841 -7.031 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 -4.698 -4.716 0.351 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 -13.782 5.761 -17.177 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 -1.031 2.741 -4.584 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 12.327 19.628 -6.909 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 13.633 28.369 -33.589 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 9.449 -5.170 4.692 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 13.641 -3.452 8.512 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 -8.041 -7.763 -0.484 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 -2.307 -1.484 1.203 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 -14.287 9.840 -5.036 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 6.562 6.785 -4.618 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 5.338 -5.824 5.278 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 4.122 -6.883 10.315 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 6.061 -11.046 -18.640 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 0.874 -3.881 1.727 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 7.544 6.548 2.989 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 -9.884 -24.823 8.402 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 0.508 -4.420 6.152 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 2.076 -10.149 -26.563 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 -7.749 -8.021 -22.079 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 3.785 -1.671 0.605 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 -14.175 25.467 2.263 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 10.260 -16.783 -3.539 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 -2.280 3.967 -2.926 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 6.309 8.531 -6.883 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 -5.887 -3.042 -9.466 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 0.157 1.461 -3.342 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 7.562 -7.546 -3.723 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 -2.758 13.488 6.997 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 -3.603 1.883 2.738 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 -6.012 7.569 -14.165 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 -3.156 -3.602 1.999 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 -1.568 2.598 -4.735 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 -2.731 -1.031 22.577 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 7.523 -7.783 7.064 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 -1.168 -0.535 2.808 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 11.654 5.079 12.115 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 0.464 4.536 -1.676 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 1.276 -13.357 2.329 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 -18.274 -27.710 9.004 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 5.327 2.974 -4.719 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 0.605 -3.999 -3.331 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 2.148 -8.098 -1.658 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 0.261 7.150 -11.575 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 -0.713 6.574 -2.641 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 -3.727 -25.125 -3.072 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 -0.298 23.650 -12.203 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 -8.194 -3.738 -8.262 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 -9.611 5.359 -8.116 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 -14.187 10.493 17.718 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 -3.765 -2.806 -4.842 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 10.396 -12.572 -36.165 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 -11.039 -5.342 -13.894 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 8.882 -0.570 -1.855 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 -1.978 -0.878 1.755 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 12.861 -13.961 -15.063 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 2.432 -1.982 -2.638 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 28.279 -17.139 -5.069 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 20.723 -24.560 -31.489 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 -1.437 5.609 1.651 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 6.689 4.190 -3.528 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 -11.991 5.739 4.196 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 3.627 4.463 -2.224 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 -1.814 -13.411 -8.561 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 -3.249 -8.818 -7.470 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 7.245 0.204 -2.881 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 -4.946 3.728 -5.256 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 16.259 4.655 3.111 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 2.606 2.695 1.167 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 1.375 13.689 -4.702 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 -0.959 -4.641 5.498 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 2.190 0.160 4.553 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 -21.313 6.743 -18.877 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 14.186 -10.843 0.089 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 -7.848 -0.912 3.324 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 -21.542 -8.542 -10.214 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 1.644 -12.440 31.234 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 -0.002 -0.011 0.348 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 2.485 -12.099 -3.756 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 -3.871 -3.017 -4.179 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 -2.112 -7.542 -1.138 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 1.858 -11.913 -1.548 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 4.962 -15.738 2.415 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 2.316 -6.659 0.610 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 -11.402 28.133 -3.741 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 38.307 -1.988 11.489 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 3.066 -5.484 -3.253 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 -14.785 -15.451 0.616 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 17.711 -10.425 13.866 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 -2.400 1.923 0.920 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 0.501 6.267 -3.670 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 -12.392 -6.717 11.616 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 -4.754 -0.816 -2.740 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 -11.275 -6.770 -9.522 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 1.374 -10.027 9.115 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 5.443 -5.469 -6.615 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 9.755 7.920 -20.101 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 3.914 -11.862 1.420 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 -2.658 -7.569 0.103 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 -5.706 1.648 3.536 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 -9.117 25.465 15.239 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 9.735 3.636 -5.451 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 3.896 3.606 -7.530 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 1.987 8.013 -3.360 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 -4.692 3.006 6.965 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 -2.275 2.234 13.789 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 -4.325 2.628 5.960 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 -2.231 3.202 6.859 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 -5.210 -1.196 -14.378 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 1.079 8.000 10.678 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 -7.119 2.028 -4.169 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 -5.204 -0.573 3.046 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 0.256 4.772 24.766 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 -7.003 8.712 3.802 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 -14.928 17.309 29.342 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 11.254 -9.730 -49.728 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 -0.853 -0.668 2.460 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 -10.533 -3.212 12.215 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 -5.404 7.922 -3.046 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 0.375 -6.599 -0.653 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 6.006 -0.846 3.239 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 3.010 -8.639 -18.814 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 2.015 1.485 -3.162 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 20.622 19.346 3.646 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 -16.254 -2.645 -8.959 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 -3.019 0.244 -6.920 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 -2.417 -1.617 -0.371 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 -5.695 -12.502 5.426 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 3.130 -4.042 -3.161 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 -10.972 8.385 -7.701 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 -2.558 -21.302 -11.002 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 -1.457 1.336 -1.531 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 -13.799 21.332 -4.801 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 3.629 -3.063 25.531 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 0.171 0.115 0.650 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 13.937 13.112 -5.838 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 -7.384 1.810 11.246 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 0.822 -7.630 -2.021 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 -16.797 10.036 0.733 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 21.513 -11.713 18.363 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 -1.540 -1.847 -4.899 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 -4.982 14.068 -1.776 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 -5.347 8.451 2.371 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 -4.138 -1.424 1.118 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 -6.714 -0.372 2.329 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 -0.300 -4.395 -4.060 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 -4.579 -6.958 -2.430 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 -6.645 -17.104 -12.187 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 -1.699 -24.287 2.487 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 -2.981 5.905 0.729 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 -1.399 6.415 -21.430 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 -3.877 -1.362 3.257 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 0.895 -1.388 1.715 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 -24.386 8.094 9.372 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 1.753 -26.954 -23.216 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 -4.356 0.047 -1.675 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 16.609 -6.151 -9.021 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 6.256 0.237 -3.772 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 3.614 2.374 -6.665 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 -7.353 9.148 -21.094 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 18.494 1.607 21.487 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 -10.612 0.415 -6.908 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 -2.469 14.557 -5.618 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 -11.084 3.158 -17.488 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 3.863 5.563 2.030 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 11.844 9.042 -5.626 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 6.076 7.085 -0.230 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 -0.754 2.311 3.370 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 2.242 -0.500 -11.143 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 2.292 -9.678 -8.123 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 -0.101 5.264 -10.474 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 -1.120 -2.910 -10.470 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 3.811 1.927 -7.416 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 -2.013 5.701 -0.586 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 -6.689 15.495 -6.735 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 -2.544 7.626 -2.853 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 11.216 -2.082 -3.585 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 11.788 1.619 -10.409 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 7.425 -4.898 2.277 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 -1.990 -11.074 -0.101 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 -17.092 -25.766 -5.041 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 -15.197 -27.992 -13.303 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 -3.091 -6.987 1.353 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 -1.164 -11.830 -0.016 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 0.698 -17.291 -0.060 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 -4.169 -0.223 0.374 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 38.446 19.457 21.066 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 13.982 -6.716 -5.482 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 6.630 -3.039 2.831 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 27.434 -2.680 -3.023 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 -3.629 2.830 -19.993 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 -3.791 -2.395 3.777 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 14.362 -5.685 -17.875 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 17.935 -5.454 -18.825 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 1.614 1.521 2.592 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 -9.814 -10.967 2.117 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 5.908 -10.875 15.174 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 -0.519 0.013 -3.201 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 4.543 1.480 8.043 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 -10.104 18.182 -7.483 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 -2.930 -3.045 -1.908 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 -4.202 -1.044 16.534 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 -14.225 2.663 24.235 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 2.499 3.295 1.945 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 1.690 -9.853 0.996 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 9.842 9.622 -1.418 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 3.886 3.985 -6.480 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 -8.489 -6.961 1.175 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 -1.139 -0.063 -1.870 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 3.528 5.474 -7.388 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 8.817 7.232 -3.838 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 6.444 -2.055 -4.762 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 -4.039 -0.418 -3.404 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 -2.780 1.422 -3.085 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 -3.656 11.721 38.751 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 2.202 -0.584 -2.818 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 0.985 -19.558 -0.685 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 -15.390 -3.867 -10.132 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 -2.074 0.002 -3.411 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 -12.206 5.493 7.641 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 14.916 -3.576 2.306 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 1.672 -7.730 -5.188 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 -8.030 -15.025 -5.350 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 -0.451 -1.384 -18.089 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 3.307 -1.540 3.634 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 -21.316 -11.796 -8.384 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 -13.321 -7.780 -30.680 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 0.420 1.810 3.657 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 3.331 -5.456 4.237 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 4.048 -11.215 3.064 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 2.823 -5.337 -9.306 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 -6.587 -3.617 -4.633 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 12.808 -4.599 -18.172 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 3.267 -4.232 -5.927 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 -7.137 -0.195 -17.405 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 16.520 1.607 -9.168 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 0.013 5.518 -3.265 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 -4.072 19.532 9.457 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 -3.379 7.363 -18.345 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 1.146 2.206 -4.335 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 5.332 -12.778 5.437 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 10.886 -0.728 11.339 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 6.590 0.369 1.115 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 3.826 -0.609 -2.542 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 -1.891 -11.757 28.456 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 2.004 -4.835 -0.136 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 22.024 -9.464 -11.144 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 3.943 7.271 -5.668 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 3.952 6.165 -2.879 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 5.735 -10.073 13.210 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 3.529 3.075 1.626 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 -2.253 -1.674 -1.892 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 2.303 9.686 -7.712 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 18.892 34.008 -14.217 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 -3.613 -0.915 3.015 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 -5.444 4.258 -8.417 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 3.148 6.532 13.240 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 8.796 -9.064 2.550 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 -3.612 20.378 -7.968 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 -4.399 -15.699 15.173 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 0.835 10.670 -2.033 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 1.618 -44.757 14.655 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 -0.922 -2.604 9.734 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 7.797 -6.293 1.294 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 3.149 4.234 -9.753 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 -0.695 1.549 9.067 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 -3.832 5.399 5.093 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 -3.417 -27.783 -4.627 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 3.791 21.629 -4.577 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 7.071 -3.408 1.472 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 -28.719 1.611 0.836 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 17.115 -13.402 12.541 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 2.790 -3.349 4.238 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 -17.456 6.923 20.396 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 8.235 -10.627 5.565 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 -3.293 2.707 2.311 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 -2.050 -39.414 -1.401 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 -20.214 12.380 -19.641 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 -2.397 4.629 4.697 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 3.306 9.179 12.659 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 0.082 23.453 14.834 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 -5.315 1.244 -8.953 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 17.909 42.340 -10.161 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 -3.730 -18.805 -15.042 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 -3.052 2.673 -0.561 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 -8.715 -14.379 16.748 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 -12.078 -10.410 -5.648 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 -2.346 -0.780 3.528 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 -8.026 -14.674 2.999 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 -12.447 26.684 14.479 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 2.523 2.463 8.142 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 -8.730 -15.780 9.290 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 14.747 -0.554 -7.535 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 -3.625 1.741 -4.010 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 17.693 16.125 2.215 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 -21.183 -25.370 30.770 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 4.275 -1.929 3.384 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 4.987 4.798 -3.231 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 3.444 -2.138 -17.428 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 3.072 -3.758 3.494 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 -4.091 9.904 41.017 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 -18.960 11.836 -18.988 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 4.993 9.050 2.647 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 -11.684 -6.106 2.250 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 13.448 -1.523 6.468 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 1.668 -5.590 -7.526 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 -16.173 -1.077 -23.788 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 3.327 4.452 1.759 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 1.078 0.067 -3.065 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 12.903 -2.170 -8.124 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 16.372 -20.433 14.479 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 5.039 -3.483 5.004 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 6.177 11.367 3.251 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 -16.091 15.646 19.539 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 -0.380 -0.619 -1.535 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 0.039 -1.563 1.144 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 8.279 -10.194 -3.999 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 -1.938 -9.455 -1.465 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 0.461 3.304 10.800 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 2.044 15.289 29.916 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 0.614 -4.559 -3.274 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 -22.337 -12.193 -17.316 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 31.738 -11.056 -20.541 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 1.041 0.109 4.641 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 -5.273 -9.526 -1.201 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 4.895 7.937 -4.148 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 -2.394 -3.520 1.065 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 -7.506 -12.013 -5.857 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 -5.973 7.075 -4.059 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 -4.474 -3.690 -1.101 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 5.103 -9.247 11.009 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 12.082 15.306 -3.676 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 1.599 2.323 -5.190 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 -1.142 -4.795 -5.050 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 3.395 1.440 -11.955 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 2.415 -1.419 -1.740 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 -29.233 -30.043 14.003 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 30.294 -9.521 -11.937 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 4.387 -3.154 2.259 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 4.203 -0.612 2.056 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 11.750 -23.544 4.574 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 1.011 -0.066 4.141 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 -9.730 -1.294 8.147 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 -6.575 -6.843 10.160 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 -4.573 6.833 5.229 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 -4.463 22.930 -2.596 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 -28.762 -9.690 13.373 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 -6.823 -2.934 -5.273 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 3.534 3.104 -7.601 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 0.861 5.620 2.473 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 6.958 0.416 1.684 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 6.156 -1.285 4.141 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 10.894 13.453 -19.164 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 -5.293 -0.053 -4.222 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 -5.636 10.696 -10.262 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 24.129 4.644 15.671 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 2.270 -3.789 0.638 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 7.039 8.521 16.954 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 1.360 6.617 -11.849 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 2.430 2.194 -2.752 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 0.694 25.080 -2.623 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 2.412 4.846 -5.409 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 2.726 -1.246 -6.325 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 28.346 -5.770 -16.317 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 -0.669 -20.033 17.261 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 5.993 3.649 0.178 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 1.843 -13.979 3.496 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 2.593 6.607 -18.018 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 4.753 -5.254 2.536 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 -15.050 -24.271 6.262 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 1.458 -17.920 -4.325 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 3.723 -2.376 -2.679 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 6.453 -4.891 -8.802 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 -8.333 5.285 1.371 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 -3.416 -11.529 2.259 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 -1.442 -7.966 -3.357 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 5.129 -3.020 12.012 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 -0.559 -0.574 8.299 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 -18.963 -2.881 -21.110 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 -15.269 -31.799 1.998 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 -0.411 2.832 -4.410 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 15.117 7.696 8.965 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 18.247 -9.228 9.917 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 0.532 -2.401 4.339 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 -8.807 -1.059 4.205 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 17.607 3.258 2.245 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 6.057 -1.381 -1.055 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 13.090 -0.161 9.127 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 3.106 -2.118 5.723 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 -3.966 7.219 3.291 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 1.844 9.693 12.027 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 -13.376 -2.724 -20.041 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 -4.858 -6.318 4.139 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 -5.173 -6.642 4.410 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 -20.645 -3.597 0.910 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 -1.919 2.433 7.242 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 7.440 -0.572 10.046 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 5.261 -10.833 -5.705 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 4.699 10.911 6.077 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 17.724 -14.543 -18.117 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 -3.509 -4.253 1.075 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 1.827 -4.977 -0.154 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 6.595 13.461 -13.492 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 0.694 -9.784 3.393 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 -9.453 -1.619 -2.980 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 -6.518 10.606 15.291 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 -17.435 6.995 -25.342 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 -0.570 -8.210 -3.192 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 -1.886 5.119 13.657 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 9.016 1.829 -9.977 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 -4.175 2.630 0.616 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 13.770 -1.183 13.575 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 5.471 -17.925 6.897 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 -7.887 -8.810 0.485 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 -10.138 -27.486 -2.500 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 8.142 5.146 1.964 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 -3.745 7.437 3.584 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 -8.082 0.017 0.319 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 -3.642 6.779 9.471 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 0.625 0.596 -2.256 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 18.337 12.345 0.999 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 -17.995 17.092 -8.589 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 2.700 2.326 0.264 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 -0.812 6.380 -18.735 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 -8.467 8.500 -17.872 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 1.115 -2.830 -0.557 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 -3.827 3.479 3.402 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 5.756 2.102 3.991 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 -1.651 -1.386 -2.021 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 -7.289 -19.900 -13.758 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 16.406 -6.633 9.417 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 0.415 1.970 -8.220 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 -1.158 1.254 -17.653 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 9.291 -4.454 -3.177 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 1.928 1.227 7.120 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 1.105 -3.194 6.553 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 3.133 4.599 12.553 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 -3.274 -4.977 0.652 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 -9.069 -7.584 -25.537 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 -0.575 13.753 11.295 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 2.881 -0.589 1.348 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 -29.303 -7.495 -7.704 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 10.047 -16.984 27.673 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 0.257 -0.796 -5.034 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 20.681 13.031 -4.254 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 -1.495 13.558 -25.519 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 7.175 9.175 5.364 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 34.986 19.270 2.911 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 -6.216 -4.523 -3.331 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 0.455 1.210 6.257 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 -2.129 -6.403 1.355 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 1.745 2.967 7.571 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 4.527 -2.890 1.490 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 3.288 -2.173 0.991 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 8.373 -9.169 3.219 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 0.627 5.240 -3.404 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 -18.861 12.112 35.129 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 -19.417 13.387 11.778 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 -1.575 2.075 5.642 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 41.168 5.942 1.088 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 -15.991 10.476 6.958 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 -0.698 7.555 5.093 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 -10.816 -9.706 -0.625 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 -1.818 19.361 -4.191 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 2.845 -0.543 -1.085 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 33.682 -2.651 2.365 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 11.932 -15.597 7.302 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 -2.845 2.305 1.728 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 -27.181 -16.286 -3.179 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 11.806 -9.966 26.839 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 -3.244 -1.131 -2.333 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 11.427 -6.543 -6.454 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 0.656 7.523 -2.131 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 0.455 -5.585 1.672 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 3.140 -2.335 3.010 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 22.203 13.873 12.064 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 -1.215 -9.553 4.891 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 2.256 -3.934 -1.382 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 8.340 8.556 16.923 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 -2.771 -4.025 -2.084 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 -9.765 -0.615 -27.783 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 -6.420 -11.664 -11.871 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 2.267 -0.946 3.515 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 9.192 -7.179 -21.093 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 -6.863 12.681 11.850 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 0.700 -2.450 1.765 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 8.131 2.958 -1.739 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 14.556 -2.978 8.692 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 0.234 -2.495 -2.287 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 -3.901 3.281 9.231 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 -8.575 6.641 10.587 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 6.369 -3.020 0.604 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 6.802 -3.568 -2.487 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 3.275 4.782 20.911 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 -3.889 1.408 3.206 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 -7.631 -1.850 3.827 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 -4.747 0.902 2.046 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 8.860 -7.231 -2.511 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 -5.320 17.521 11.027 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 3.246 4.820 -6.789 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 -2.639 -0.875 -4.225 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 -7.998 -0.953 -14.499 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 1.215 -6.466 -2.229 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 -1.243 0.008 -1.905 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 -17.156 31.169 -13.631 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 5.701 8.847 9.900 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 4.259 4.516 5.832 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 -9.517 -3.794 -8.768 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 10.069 12.756 4.220 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 4.820 0.524 -0.730 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 10.389 -8.780 -3.891 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 -1.176 -15.087 22.649 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 1.475 0.269 6.693 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 -20.653 -10.982 15.110 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 15.102 -10.123 18.588 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 0.833 -0.187 0.152 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 20.061 -20.203 11.914 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 5.716 -20.342 -7.435 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 2.232 5.439 -2.702 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 -3.822 3.156 -13.171 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 -5.419 7.941 4.415 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 3.468 0.717 0.318 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 3.895 -0.825 7.703 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 6.640 0.975 3.691 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 2.136 1.785 -0.997 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 4.948 17.290 16.017 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 19.338 3.547 -14.050 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 6.622 -6.087 -4.392 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 8.629 -19.474 16.314 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 14.644 15.585 -26.173 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 2.011 1.997 -3.419 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 32.749 2.883 0.662 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 -8.173 1.324 26.451 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 1.746 -3.533 7.180 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 -12.859 -22.280 -0.875 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 12.315 9.155 5.872 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 0.729 -3.435 -2.865 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 -4.133 -18.776 11.318 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 -11.002 -5.142 -8.039 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 1.022 -4.332 -0.977 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 2.762 0.492 -1.063 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 -0.286 5.817 2.332 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 -1.379 3.494 3.010 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 22.997 3.612 1.926 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 -4.540 18.616 -5.340 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 2.072 0.410 5.868 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 -1.228 4.009 -2.681 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 2.632 -18.432 12.811 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 6.263 -1.214 3.652 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 5.020 -10.690 7.021 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 8.286 -10.319 -3.662 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 0.933 -5.685 2.723 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 15.683 -11.127 18.691 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 3.589 -1.557 -11.641 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 -4.606 -7.781 5.007 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 -7.693 -2.725 -1.618 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 -7.822 -20.512 12.636 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 2.034 -5.662 2.010 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 11.228 -3.479 -5.997 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 -15.768 -8.334 -28.320 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 0.489 -0.073 -1.412 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 -14.018 8.883 0.046 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 7.950 -1.024 8.763 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 -10.989 -4.822 -4.294 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 -16.281 -9.295 3.440 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 -10.099 -10.202 -14.318 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 -0.463 4.251 1.152 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 8.332 -1.803 -0.689 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 6.798 -18.909 23.712 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 -8.139 1.814 -2.005 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 5.925 16.323 -14.006 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 -10.676 -12.733 -13.010 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 9.239 0.477 -3.235 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 22.261 -13.728 8.022 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 7.076 6.330 -10.580 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 -4.913 -5.697 6.032 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 18.024 39.339 4.790 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 40.367 10.383 -30.133 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 -1.858 -5.921 1.464 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 2.900 -8.250 0.282 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 15.642 -24.748 -15.152 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 5.192 1.625 -1.297 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 -9.292 6.677 -20.325 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 -0.394 -4.354 -13.070 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 -5.540 5.504 4.962 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 3.412 19.949 11.335 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 -22.027 12.074 12.349 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 -7.592 2.568 -0.743 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 -16.687 -4.110 17.076 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 9.277 15.080 -5.730 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 -1.576 -1.777 1.458 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 4.676 -10.975 -6.956 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 9.374 1.862 18.953 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 -4.676 -3.439 -2.243 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 23.665 -8.277 -3.872 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 -10.303 -19.020 13.637 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 3.504 2.244 2.116 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 23.715 11.281 5.869 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 18.563 -5.439 -19.004 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 -3.287 -3.166 -9.028 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 19.249 -5.612 -11.751 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 -15.258 6.496 -10.575 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 -0.773 0.044 -1.906 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 -32.376 4.362 14.967 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 -2.902 -3.449 0.293 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 -3.855 2.789 0.412 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 -4.064 13.400 0.616 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 -1.390 4.145 1.015 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 -0.292 4.762 1.507 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 -11.456 2.776 -0.975 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 -5.644 0.452 -11.317 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 5.833 7.582 -2.268 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 10.593 2.998 -0.297 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 26.227 -11.127 7.900 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 -0.723 2.544 1.330 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 -4.036 -19.921 -8.765 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 8.992 -0.799 3.112 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 0.765 0.811 0.699 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 -10.395 -3.161 -8.765 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 15.282 5.148 12.138 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 4.206 0.892 -1.296 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 -23.994 4.738 16.205 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 11.929 -9.176 -8.902 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 -1.051 -4.371 -5.919 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 0.989 -7.858 -7.227 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 1.013 3.407 -6.714 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 0.099 -0.815 -0.079 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 5.608 -3.577 5.969 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 -13.461 6.294 -17.171 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 0.653 2.245 3.720 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 -10.807 -8.587 11.830 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 -3.090 12.103 -2.132 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 -0.386 1.865 3.177 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 -8.687 6.188 12.302 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 -2.077 -11.078 9.777 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 -2.260 8.650 2.367 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 1.632 2.401 -8.189 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 -13.765 6.283 1.522 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 2.487 3.429 1.998 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 -6.760 16.664 6.646 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 1.684 -20.958 4.936 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 -1.526 -4.413 6.446 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 -1.557 -4.448 7.370 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 2.646 -5.120 -1.089 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 1.271 0.554 -0.688 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 -8.494 5.029 -22.730 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 -5.395 7.056 -10.596 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 1.360 1.250 -1.162 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 1.724 3.219 0.350 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 -0.625 -8.056 -13.113 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 -1.887 5.817 -1.488 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 -0.249 16.379 0.198 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 -6.025 2.164 5.929 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 7.294 -0.322 7.206 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 -12.472 -22.517 8.905 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 9.434 3.630 14.238 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 1.751 2.699 -1.507 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 -2.088 18.752 4.180 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 6.549 -16.906 -1.660 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 1.538 3.029 -5.114 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 -4.788 7.891 6.383 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 -2.520 10.874 -15.018 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 2.162 -1.333 -2.482 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 4.131 2.032 -4.651 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 -3.113 -15.834 14.663 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 6.079 4.307 -0.752 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 19.841 -15.420 2.955 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 -2.494 -4.762 -18.156 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 0.736 -1.786 0.895 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 -1.633 10.884 -5.979 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 -7.674 17.262 -17.791 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 -2.815 -1.127 2.069 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 -12.556 -6.852 7.864 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 7.868 -5.878 1.887 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 1.155 -0.240 -0.765 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 0.937 -1.446 -2.205 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 13.722 -7.599 3.887 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 -8.197 -7.641 9.790 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 0.505 -11.946 5.514 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 6.314 -13.797 2.444 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 -6.012 6.711 5.587 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 -10.074 -9.353 21.978 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 -1.767 -8.407 11.816 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 -3.676 3.380 4.852 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 6.553 -0.149 4.250 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 -12.503 9.610 2.080 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 3.608 -3.567 0.129 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 14.038 -40.166 -1.527 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 3.108 19.630 14.172 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 0.521 -3.781 -1.827 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 4.422 1.712 1.008 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 15.113 -0.469 5.051 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 -6.244 -3.915 12.136 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 -4.581 -9.024 11.767 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 12.463 0.195 -2.348 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 -5.006 -4.170 -0.543 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 -3.367 19.347 -6.421 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 -17.685 2.184 -6.737 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 3.097 -2.344 4.604 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 -17.744 9.050 3.462 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 -0.975 -21.042 18.424 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 0.297 -1.474 -4.156 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 -16.282 16.034 -7.869 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 -1.348 -5.879 23.793 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 2.103 1.853 10.326 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 -1.272 -1.132 2.552 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 -1.402 -2.173 4.970 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 -2.896 -4.961 -2.967 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 -3.825 -8.955 -0.093 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 3.922 27.911 9.390 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 6.239 -1.970 4.471 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 7.186 -4.163 0.139 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 15.585 -4.646 4.981 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 -3.541 1.716 5.804 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 4.982 -4.005 9.947 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 -1.761 0.872 8.849 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 1.983 1.418 -1.157 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 11.389 -2.717 -17.056 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 -10.240 -5.338 -0.647 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 8.402 0.837 0.657 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 12.392 5.114 -3.555 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 8.668 17.965 6.667 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 -2.026 -3.077 10.772 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 -0.690 0.167 15.217 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 -10.331 -14.502 4.406 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 3.186 -1.899 10.626 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 11.049 -3.245 20.008 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 -2.049 -7.289 11.355 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 -1.494 -4.636 2.756 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 -22.160 -24.674 -6.855 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 -3.974 -4.136 27.471 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 -0.961 -5.375 0.650 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 10.576 20.771 -18.178 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 5.490 -3.022 11.299 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 -2.921 -3.299 2.020 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 -9.630 -13.595 7.710 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 -24.838 15.499 1.246 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 0.406 -3.594 -6.672 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 11.477 -27.089 0.643 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 -17.411 29.855 -10.742 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 -0.339 -4.936 1.985 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 -5.453 -21.899 -6.062 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 -2.466 22.726 18.683 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 -5.943 6.400 -2.686 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 -18.819 16.040 5.353 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 -3.456 -3.292 6.535 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 -2.226 -2.042 -3.416 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 -0.228 -0.733 2.008 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 -9.661 0.026 4.190 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 -7.049 7.938 -6.343 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 8.955 -4.241 18.391 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 -20.204 -18.787 -18.789 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 -3.933 4.137 0.934 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 2.318 8.309 -14.654 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 -16.340 -14.799 1.694 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 -6.621 0.837 -0.997 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 -30.926 2.407 20.948 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 -3.574 -17.731 3.702 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 -0.172 3.717 7.002 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 -1.199 -0.602 16.094 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 -4.630 -5.815 7.485 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 4.323 2.388 -3.029 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 -8.634 -33.499 18.578 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 10.439 9.616 -13.203 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 3.354 -5.858 -3.992 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 18.543 -2.692 -29.788 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 8.634 3.262 -27.500 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 -0.163 10.175 -0.018 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 7.659 1.844 0.271 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 -6.173 -1.917 -3.595 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 5.829 5.949 1.570 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 23.765 -19.220 -10.527 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 -15.379 22.910 -3.607 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 1.248 2.391 2.312 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 9.991 11.158 -20.164 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 -3.771 -19.779 4.904 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 0.083 5.785 5.728 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 -18.415 5.990 5.184 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 22.699 17.001 -19.506 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 1.161 7.740 0.430 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 -5.983 13.865 14.661 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 -17.164 -12.813 15.940 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 3.292 -2.420 1.630 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 10.716 0.626 7.243 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 7.915 4.798 1.183 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 -0.892 -4.881 2.049 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 -14.597 -2.396 8.084 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 -11.162 -5.103 9.551 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 -1.475 0.388 -7.935 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 -13.713 -11.422 -13.288 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 0.908 16.568 -3.038 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 4.355 -0.853 5.718 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 13.678 -2.178 1.188 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 7.043 2.693 15.251 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 2.679 -5.107 -4.173 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 15.151 -5.364 -1.548 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 -20.978 -7.262 -15.826 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 -3.609 -6.438 2.217 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 -9.853 -15.769 2.336 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 8.608 -21.045 4.970 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 -1.493 -2.850 -0.384 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 -0.569 -17.884 6.185 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 1.211 -13.104 2.632 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 -2.001 -4.873 3.287 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 -5.281 -24.772 -11.434 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 -5.670 27.911 19.628 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 0.117 3.031 5.871 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 -14.282 -12.716 11.958 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 -6.147 11.830 -11.217 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 7.172 -4.402 -6.662 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 6.974 -2.656 -7.821 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 20.463 -8.917 -11.940 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 1.734 -0.794 4.877 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 -3.703 -7.181 7.180 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 20.843 16.970 -1.817 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 -0.136 1.415 -1.266 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 1.236 -4.646 -22.513 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 22.102 11.076 18.234 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 1.676 1.860 -3.262 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 -13.182 -4.077 0.971 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 -21.758 20.144 4.210 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 -2.509 4.414 1.993 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 -0.466 15.194 4.860 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 -2.970 7.926 4.967 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 -10.140 2.622 0.495 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 4.612 19.231 -23.447 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 -9.974 4.107 -2.845 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 2.105 3.191 1.058 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 36.334 3.194 3.731 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 -13.148 5.553 3.895 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 0.609 -2.660 1.802 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 3.720 -9.486 13.066 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 19.887 2.191 -25.324 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 -5.862 -1.888 -0.671 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 -4.070 -15.342 4.203 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 -11.991 -0.261 -16.251 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 0.995 0.807 -0.206 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 4.605 7.515 -7.271 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 -6.085 2.004 8.708 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 2.009 -9.747 0.894 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 2.451 -11.253 -1.289 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 1.149 -11.568 3.760 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 4.727 5.391 0.137 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 26.262 -8.858 -5.431 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 35.276 -9.699 3.728 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 -2.544 4.757 1.235 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 0.331 1.531 -6.093 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 7.035 1.936 2.046 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 -0.142 1.946 1.589 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 5.402 12.050 9.034 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 -0.054 18.354 0.973 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 -1.478 5.130 -4.078 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 4.123 4.274 -2.814 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 -1.534 -14.875 -3.795 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 1.114 6.304 6.366 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 16.147 -23.409 -4.472 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 2.407 24.362 10.850 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 8.861 -0.530 1.671 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 10.528 12.341 -24.847 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 16.777 19.430 28.517 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 5.263 1.314 2.802 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 19.511 -8.496 1.224 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 7.725 -3.446 10.609 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 0.270 8.266 -6.343 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 8.510 -5.881 -6.767 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 13.743 -19.479 -6.445 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 -2.373 -3.253 4.407 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 -13.631 -3.366 -0.230 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 12.218 -14.062 2.826 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 2.695 -9.917 11.875 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 -0.050 -11.264 10.281 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 -10.740 -0.458 10.252 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 2.293 -8.090 -4.051 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 -0.117 -13.845 -6.419 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 12.520 18.263 4.657 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 7.002 7.357 -0.586 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 11.980 7.567 16.612 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 6.225 -5.300 -5.133 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 -0.600 -3.817 5.247 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 -3.023 -5.747 5.839 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 -8.028 -28.295 6.966 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 5.880 -0.054 5.229 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 -8.622 -6.923 -16.753 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 6.292 -0.545 6.646 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 -1.849 2.402 1.331 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 -0.945 -3.030 -2.916 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 10.814 1.495 0.795 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 6.350 -4.406 2.120 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 6.215 0.054 -8.349 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 15.469 -10.106 -0.885 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 0.426 4.355 -3.316 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 -11.852 -10.088 0.136 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 6.442 0.037 4.850 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 -2.019 1.227 -3.853 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 2.311 9.734 1.087 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 -0.971 13.965 -1.804 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 6.714 3.555 -0.185 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 13.892 11.704 -19.173 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 8.494 -17.864 -7.983 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 -4.825 -5.110 -8.728 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 4.489 -27.663 -0.656 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 12.309 6.085 -7.103 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 -1.089 0.409 -3.185 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 9.352 -6.937 -17.119 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 7.962 -5.974 -15.267 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 0.482 -9.226 7.826 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 1.838 -12.382 5.075 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 8.172 -13.358 11.434 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 3.861 8.031 -1.186 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 9.215 5.574 0.988 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 16.466 0.137 5.330 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 -2.865 -5.295 10.082 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 3.956 -12.212 15.258 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 -11.121 -2.533 -4.441 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 0.536 -6.514 -0.631 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 22.221 24.254 -16.526 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 -3.798 -10.781 26.424 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 -0.485 -0.793 -2.559 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 10.025 0.343 -5.712 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 -6.204 -3.481 6.900 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 2.799 -1.743 0.001 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 -6.530 22.899 -6.336 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 -0.861 -2.482 0.138 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 5.697 6.089 -5.203 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 8.065 1.993 -1.840 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 12.955 -10.351 8.546 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 0.070 -2.693 1.378 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 -2.483 4.055 -12.838 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 -14.480 -13.648 9.256 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 -1.575 0.739 -5.895 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 18.669 9.578 6.845 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 40.588 3.166 -30.995 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 7.112 0.284 0.761 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 19.542 16.507 -0.153 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 6.773 -6.699 -10.538 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 -1.879 1.285 -1.241 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 14.454 0.108 13.460 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 -6.043 5.077 13.237 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 -7.505 -3.185 1.637 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 -15.766 9.991 5.771 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 -18.759 -2.970 -11.221 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 5.785 3.453 -0.588 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 14.492 7.623 6.726 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 6.563 3.095 3.368 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 -5.347 4.002 6.806 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 -5.260 -26.217 -2.177 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 -24.346 1.147 8.075 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 2.822 3.224 -6.201 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 -1.847 -0.268 6.835 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 -4.308 14.613 -9.952 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 -2.558 6.365 3.698 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 -8.893 -2.653 -3.184 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 -18.875 2.440 4.615 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 -1.268 -1.036 -0.283 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 -15.044 -11.306 8.779 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 -18.761 1.758 8.072 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 -0.460 3.809 3.933 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 -17.712 -9.572 12.248 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 16.402 17.534 -3.654 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 8.836 -0.993 -1.560 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 -11.914 -2.862 -5.560 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 3.872 1.131 -21.354 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 -0.256 1.786 0.243 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 -0.514 -6.008 -1.825 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 0.336 5.095 10.529 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 5.355 -1.276 4.714 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 10.360 24.304 8.884 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 4.266 -18.111 -5.079 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 8.182 4.916 -4.117 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 11.051 2.478 -1.902 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 -7.486 24.389 -7.941 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 3.912 1.462 -2.915 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 11.177 6.828 23.997 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 0.458 -6.545 -13.994 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 -5.336 -4.779 4.321 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 -16.795 -1.375 -18.306 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 -18.177 -0.143 9.220 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 0.184 6.680 -0.926 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 7.305 10.828 15.236 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 -9.217 -17.216 -1.796 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 -8.108 -0.875 -7.227 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 -7.735 10.709 8.854 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 -8.386 -2.265 -9.621 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 2.333 -3.736 0.210 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 6.770 -4.207 -6.255 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 11.462 -1.851 -4.635 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 2.761 -3.709 -1.543 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 3.134 32.560 1.680 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 10.192 -38.593 -11.474 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 -2.470 0.624 6.847 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 -6.141 -0.794 17.408 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 -0.418 -2.449 0.724 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 -0.354 -1.758 -1.896 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 13.260 7.000 4.547 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 -1.597 -4.586 -2.552 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 -1.660 -0.023 -4.350 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 18.916 14.164 -11.079 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 -2.097 -4.942 -1.999 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 4.292 -5.245 0.353 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 9.284 -15.070 -13.593 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 -0.281 -1.464 12.597 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 -3.008 5.489 -4.982 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 -9.223 -5.684 -9.570 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 -13.243 -7.107 -4.415 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 -2.487 -4.537 0.071 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 11.443 -17.787 -2.336 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 4.400 11.660 -8.179 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 3.598 5.036 -6.384 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 12.746 -3.555 10.731 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 0.379 5.871 5.702 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 -1.933 -6.727 1.133 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 -13.510 5.343 20.302 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 7.154 -16.933 10.420 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 7.015 -0.270 -0.387 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 -0.426 10.601 8.171 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 9.320 -9.164 -12.436 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 1.848 -2.968 3.466 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 -16.289 -7.927 2.490 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 -0.338 -9.362 19.689 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 -6.992 -0.815 -0.551 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 -10.205 9.645 -6.267 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 -3.996 8.352 11.272 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 0.144 -4.014 5.617 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 5.457 11.398 4.765 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 -1.281 -6.343 -6.954 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 -2.138 1.198 1.872 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 -0.763 -15.995 -15.308 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 -3.108 8.687 -7.553 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 5.352 1.195 2.746 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 -8.108 -0.084 0.606 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 3.769 11.906 -1.864 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 -5.138 4.996 0.078 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 -15.244 -11.621 8.654 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 -20.145 -10.068 -3.118 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 2.151 4.184 3.041 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 -7.684 -18.608 -10.539 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 4.722 22.676 -16.368 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 -5.413 0.735 0.439 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 12.232 -8.282 -10.391 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 15.668 -9.605 -8.923 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 1.417 2.140 -0.067 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 9.283 11.291 -15.591 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 -24.134 6.413 4.501 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 -3.664 -8.364 -3.059 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 -5.758 8.085 5.441 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 -18.781 -8.605 7.331 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 7.814 3.511 -3.776 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 2.772 -6.734 -13.377 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 -3.739 6.506 -14.031 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 4.421 0.098 2.546 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 0.398 -0.422 0.319 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 11.738 7.996 1.838 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 0.685 -0.418 -6.214 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 0.124 3.745 -10.716 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 2.452 1.021 4.161 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 1.018 0.379 -0.155 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 17.078 -3.220 13.166 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 10.786 9.507 -16.820 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 8.477 4.791 -2.304 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 13.507 6.697 -12.304 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 25.086 -16.083 16.123 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 -0.333 2.487 -0.054 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 5.224 -2.782 6.866 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 13.607 -10.495 -5.976 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 1.233 0.302 0.244 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 6.507 13.589 4.916 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 -6.359 -27.462 -17.749 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 1.747 2.500 4.768 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 -11.324 -19.087 0.621 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 12.097 19.329 9.084 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 -4.070 -5.552 2.164 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 10.840 -2.890 -1.299 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 -8.535 6.164 -6.077 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 -5.339 -2.346 -1.825 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 1.136 -13.976 -5.900 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 -10.506 27.609 -24.045 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 -1.129 -5.875 -10.438 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 18.136 6.615 16.015 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 7.246 2.188 0.376 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 -4.347 1.805 -4.104 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 -7.383 -0.816 -11.821 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 0.104 10.279 8.753 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 5.598 -1.599 -1.430 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 11.183 21.115 -16.055 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 2.063 24.849 -17.157 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 -3.656 1.685 2.241 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 -13.414 14.223 6.767 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 -3.561 8.453 4.202 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 -0.729 0.753 -2.825 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 7.019 -4.921 -6.605 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 5.157 0.226 -7.858 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 -6.429 0.001 -3.980 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 11.936 1.926 0.621 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 -11.289 -10.284 8.726 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 0.692 1.544 -3.727 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 2.473 7.316 -11.873 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 1.019 -11.138 8.138 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 -3.322 -4.522 -3.722 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 -3.029 -11.244 28.579 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 -23.283 4.426 12.378 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 7.168 1.300 -4.356 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 3.219 -16.778 3.920 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 -1.134 3.553 -12.442 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 5.285 -1.012 6.493 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 -3.099 -1.040 13.703 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 -4.379 3.440 13.809 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 5.504 -1.595 -1.176 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 6.172 -9.430 5.986 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 2.379 17.749 11.055 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 1.295 -5.368 2.773 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 9.116 -5.787 1.665 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 -1.202 -11.709 6.717 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 -5.808 -0.384 4.508 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 14.656 7.897 13.005 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 9.763 -15.792 4.018 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 -5.245 1.184 4.300 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 -7.597 -21.355 12.068 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 -0.968 3.210 13.234 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 2.755 -2.241 1.418 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 16.207 19.047 -8.915 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 10.906 20.818 6.672 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 -3.254 -12.177 0.880 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 -0.765 -3.411 -30.337 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 -8.955 2.562 -8.134 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 -0.801 -3.932 -9.348 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 8.550 17.849 30.222 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 -0.414 -2.437 -6.480 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 2.907 -1.288 -1.732 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 28.019 -3.112 -10.298 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 -27.927 -4.623 -5.432 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 -5.953 0.682 -3.477 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 -4.082 -4.575 -0.123 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 -7.646 -2.374 4.393 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 0.943 -2.386 -5.584 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 -15.058 13.065 10.690 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 16.134 2.755 -0.125 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 3.576 3.054 -1.787 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 -6.658 13.232 -3.247 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 24.867 -4.185 -11.245 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 5.948 -2.793 -2.607 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 8.646 -9.108 17.794 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 16.996 13.482 20.342 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 2.704 -0.870 -2.027 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 16.249 -6.301 7.132 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 -8.666 5.254 1.207 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 10.638 2.431 2.607 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 15.139 0.668 3.212 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 8.148 11.328 20.094 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 -0.554 -1.061 2.870 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 7.338 -14.181 -15.234 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 -2.718 5.994 4.082 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 -10.388 1.644 3.782 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 -8.522 -0.486 -13.027 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 -1.514 -0.923 2.052 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 -1.946 2.470 2.993 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 -5.520 11.177 -2.308 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 -8.150 -4.064 -11.971 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 -4.042 3.890 4.122 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 -3.630 1.983 4.863 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 -6.996 0.920 26.987 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 3.535 5.563 -6.415 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 1.214 6.927 -2.659 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 -3.662 5.018 -0.169 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 4.267 -2.633 -4.013 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 1.790 -0.584 -15.246 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 7.984 -5.415 0.849 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 0.937 -1.261 -5.703 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 -4.922 -16.479 18.998 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 -17.122 7.030 -21.195 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 -4.367 -1.933 4.305 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 14.537 7.344 15.184 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 12.600 -10.300 12.155 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 -0.791 3.567 7.213 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 16.363 25.563 12.844 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 0.062 3.179 5.171 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 3.983 1.554 -4.302 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 10.375 -3.583 -19.598 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 12.679 -5.525 -16.958 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 6.268 -0.126 0.672 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 6.564 4.022 10.811 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 2.506 -1.017 -2.861 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 1.737 3.088 -8.525 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 -0.470 -17.423 7.915 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 -1.263 -26.366 15.786 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 -3.735 6.074 9.142 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 4.620 1.883 5.949 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 -13.441 -0.100 11.721 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 -3.223 1.415 -7.476 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 5.246 -7.846 -12.392 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 3.553 12.145 -10.382 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 1.837 -0.924 -0.029 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 4.045 3.476 -5.883 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 8.871 6.461 -7.989 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 1.312 -0.854 1.109 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 -3.466 -2.885 -0.221 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 12.228 24.524 34.060 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 2.949 -1.752 5.495 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 5.818 -5.190 -10.364 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 -10.088 5.120 7.691 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 -4.860 8.662 1.189 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 22.316 16.609 4.920 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 -5.351 5.826 9.497 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 2.865 4.087 0.477 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 3.698 20.356 -12.171 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 -2.271 36.377 -4.587 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 3.653 -0.428 2.219 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 16.606 14.105 -9.733 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 -1.970 16.358 -6.136 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 2.125 -0.529 -0.741 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 -0.244 -7.535 3.110 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 -15.836 7.647 -11.354 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 -2.162 0.841 -0.277 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 -9.756 7.271 2.738 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 5.552 4.337 0.335 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 -2.690 -6.914 0.293 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 6.615 8.007 -5.278 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 22.493 -9.220 1.650 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 8.981 -1.158 1.368 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 -7.278 -15.597 24.304 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 -22.223 -7.078 -16.214 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 -2.382 -8.251 5.866 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 -5.793 -9.944 13.822 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 1.231 -18.175 2.648 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 3.130 0.188 3.034 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 -0.143 11.944 11.413 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 -7.861 0.778 7.294 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 1.882 5.242 3.120 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 1.634 -11.649 -2.626 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 -5.285 -2.931 17.986 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 4.267 5.502 -3.172 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 -14.319 -10.952 2.448 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 7.019 -18.581 4.991 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 7.283 -2.310 -3.215 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 21.354 -4.412 5.092 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 5.533 2.137 -4.867 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 0.065 -6.310 2.831 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 -19.076 -7.172 0.152 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 10.328 -3.253 3.324 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 -1.216 -1.910 4.637 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 2.334 11.172 23.440 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 -15.225 -15.184 12.928 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 -5.448 -1.624 -0.671 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 1.492 0.663 -6.010 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 10.810 10.745 -4.583 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 -1.958 9.156 -2.412 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 9.332 11.044 21.543 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 3.194 9.438 7.298 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 -1.796 -0.911 -1.433 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 13.983 4.239 4.254 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 -5.785 6.851 5.345 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 5.410 1.306 2.173 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 -20.096 -3.137 -22.586 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 19.602 7.099 0.381 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 -9.059 3.177 3.379 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 20.983 12.005 -0.425 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 -8.149 4.905 1.671 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 -0.773 2.854 2.741 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 -0.282 -7.907 6.731 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 11.905 0.513 21.043 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 -7.309 -6.179 -9.169 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 2.007 10.283 -29.492 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 19.018 3.707 -0.743 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 2.613 3.055 7.038 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 9.780 -18.685 -26.768 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 -0.946 -7.461 19.281 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 -7.759 4.228 -3.999 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 -2.681 4.863 -21.971 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 -25.942 2.238 -4.901 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 2.306 -2.736 -0.517 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 14.274 0.900 21.685 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 -12.680 -2.511 6.064 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 5.090 3.461 -3.042 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 4.643 -4.604 -13.271 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 5.539 -1.786 -14.867 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 -1.457 -2.384 2.069 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 3.672 -1.281 -5.434 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 -6.363 -8.676 3.698 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 5.307 3.733 -2.536 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 27.686 -9.051 -7.893 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 8.883 16.105 6.481 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 1.551 -4.560 0.471 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 12.094 -5.299 6.060 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 -4.957 0.487 8.522 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 -8.719 0.970 -1.122 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 -7.911 -8.156 19.861 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 -21.937 -5.882 -2.920 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 2.748 -5.112 6.070 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 -1.522 -1.207 10.404 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 9.919 -4.416 3.613 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 -1.136 -1.968 5.254 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 -1.479 7.699 1.304 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 -12.160 33.634 4.699 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 5.787 1.008 -0.038 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 27.773 13.331 6.638 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 14.807 -0.144 3.725 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 1.932 -0.305 4.569 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 4.494 4.074 0.750 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 5.316 1.737 6.438 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 -3.707 -6.034 3.423 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 -8.266 -2.458 -3.570 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 11.243 -21.855 -27.466 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 0.478 5.109 1.323 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 -12.721 -11.137 14.081 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 -6.204 -4.418 2.825 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 -2.349 -0.624 -4.756 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 20.493 0.833 -1.360 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 24.959 -20.240 31.426 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 -4.692 -0.384 -1.470 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 -0.598 2.420 -5.981 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 -5.191 -5.352 12.137 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 -5.804 0.345 5.552 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 -6.241 -1.097 7.694 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 -21.391 3.195 -2.348 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 2.161 0.530 4.182 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 -12.349 12.237 7.551 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 -4.431 -3.816 13.444 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 -6.332 10.403 4.582 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 15.506 12.929 14.961 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 -2.639 -3.742 0.867 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 -2.881 -2.338 -2.024 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 0.370 6.953 10.277 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 -31.783 11.514 -13.916 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 1.018 3.717 1.651 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 7.075 -4.998 -11.769 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 19.797 4.214 1.265 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 2.172 4.745 -0.395 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 1.158 15.199 0.315 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 5.069 -6.585 2.239 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 -1.653 -7.526 1.599 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 -15.788 -14.163 -2.544 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 5.254 -4.328 0.154 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 7.351 -6.481 2.713 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 -10.420 11.900 -17.209 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 -4.152 -7.607 -9.458 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 -12.040 0.687 -1.292 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 -2.133 -18.171 -12.837 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 7.528 -3.085 4.783 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 2.405 -10.012 -3.204 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 -5.546 -9.622 -4.856 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 -17.869 -7.025 -7.164 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 5.318 4.689 -0.452 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 -2.666 -2.262 3.678 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 14.878 12.001 -6.520 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 -5.955 4.142 2.357 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 -8.666 6.163 1.632 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 -24.058 9.255 5.900 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 0.193 0.391 2.120 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 -1.006 -8.437 -6.018 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 15.945 -1.735 5.782 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 5.079 -0.444 -0.259 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 8.650 4.932 0.351 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 1.166 -3.286 -14.578 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 -0.533 2.171 3.804 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 -4.034 -0.638 -31.968 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 11.669 -19.249 -1.035 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 -0.493 5.221 0.632 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 -9.462 -14.448 2.687 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 17.475 0.807 -9.814 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 -7.306 0.687 -3.055 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 -8.069 -2.618 -1.092 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 -8.275 -1.352 -5.672 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 5.710 4.955 0.074 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 3.774 7.461 -6.710 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 -7.842 3.652 -7.744 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 4.725 2.016 -1.897 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 -1.924 5.810 18.243 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 9.417 16.490 -4.714 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 5.029 -7.565 1.193 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 -17.895 2.156 -27.184 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 -3.655 -1.045 1.701 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 3.147 1.657 -4.208 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 7.298 -1.452 2.861 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 8.675 3.249 -11.354 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 -0.867 -4.081 6.062 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 0.282 -3.043 4.636 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 -0.047 -7.770 5.807 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 0.212 6.187 -8.748 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 1.101 4.300 -10.808 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 0.933 2.876 -11.589 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 -0.813 -1.457 -2.698 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 7.755 13.103 -2.434 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 13.163 -6.028 3.239 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 -3.203 0.935 -4.482 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 8.503 -3.014 19.173 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 -1.922 0.679 -0.335 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 7.360 -4.994 6.563 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 -4.797 -26.444 28.001 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 12.854 3.598 -1.767 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 -4.196 6.909 -1.288 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 1.291 15.925 -13.229 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 9.043 -2.767 5.670 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 -4.056 0.224 -4.019 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 7.367 9.608 -1.256 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 -32.754 -2.024 19.441 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 -2.460 3.095 -9.814 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 2.133 1.331 -15.751 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 9.230 -7.645 -22.007 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 4.729 -0.187 -0.157 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 -0.387 4.045 -2.163 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 -33.669 6.815 -15.120 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 -1.372 -0.392 -0.439 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 4.797 6.308 -9.221 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 -5.850 -0.871 4.081 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 -5.656 -3.681 1.325 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 -5.660 -3.857 2.912 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 12.926 -16.163 13.860 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 1.064 -0.103 2.098 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 13.617 -4.959 16.265 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 -22.314 -3.251 10.319 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 -3.105 1.083 -0.566 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 7.027 -9.956 -9.206 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 -2.046 9.444 -5.121 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 -2.215 -2.648 -6.494 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 -0.257 -5.433 5.187 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 -0.233 -1.018 -13.260 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 -4.552 -4.135 4.535 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 -14.867 5.893 5.628 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 14.282 -12.427 19.592 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 1.295 7.261 0.156 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 5.897 1.121 3.044 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 5.522 10.149 43.690 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 0.244 1.885 -1.059 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 10.398 -20.582 17.095 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 -3.808 17.676 -0.597 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 7.400 1.582 -1.939 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 21.137 -4.836 1.622 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 -1.538 -6.641 9.153 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 -2.556 0.222 -1.521 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 7.869 -18.687 6.503 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 12.232 -18.127 -12.265 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 -2.225 2.980 -3.661 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 -3.778 -6.171 -1.367 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 5.778 1.862 2.898 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 6.762 2.257 -0.232 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 10.899 7.749 -7.304 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 25.024 17.302 -8.988 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 -0.782 0.879 -1.000 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 10.836 16.559 2.110 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 5.218 0.732 -10.866 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 -4.811 -1.384 -3.443 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 1.715 3.813 -9.459 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 -5.554 6.185 2.780 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 7.385 0.948 1.308 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 12.543 -8.127 1.897 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 -0.160 14.499 -0.604 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 -3.235 2.673 -4.789 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 -10.494 4.660 -7.234 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 -25.297 4.578 19.817 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 6.191 -1.743 -8.445 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 -14.972 -16.074 -19.403 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 32.468 -2.815 -4.212 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 -0.067 -3.268 4.543 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 5.127 11.399 2.758 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 -1.853 0.209 -4.585 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 -3.201 1.728 4.606 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 -25.607 16.433 11.481 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 -7.198 23.170 22.276 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 2.928 1.946 4.651 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 -6.180 20.616 13.991 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 -18.556 3.203 -9.942 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 4.853 -2.810 1.964 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 2.541 -8.376 10.535 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 8.821 1.516 -1.096 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 -1.688 3.041 4.337 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 -2.466 1.168 13.599 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 7.682 10.473 -11.764 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 3.515 5.022 1.373 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 -3.887 15.351 -21.462 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 -7.386 -7.808 -0.424 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 -4.727 5.466 -0.571 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 -19.021 -4.153 -4.659 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 4.499 9.429 2.403 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 2.391 0.101 4.351 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 11.138 -0.170 -13.532 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 3.662 19.789 10.303 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 -4.379 0.449 -2.118 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 13.220 -1.722 8.205 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 -11.042 19.365 0.359 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 5.482 3.590 -7.069 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 8.809 1.070 4.069 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 4.930 -12.740 -5.993 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 1.268 1.280 -1.381 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 -3.061 4.420 1.007 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 -6.667 0.580 4.435 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 -2.900 0.920 -0.735 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 3.454 10.217 7.278 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 2.447 -10.275 2.100 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 5.698 1.925 -1.157 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 -6.999 6.805 23.797 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 2.943 3.296 -10.412 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 -1.932 1.350 -7.164 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 19.681 -2.135 6.009 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 -0.682 -13.037 -1.598 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 -1.015 -1.694 -2.417 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 -23.289 5.422 -10.180 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 -5.622 -3.507 -1.373 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 -1.111 -1.138 -2.535 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 4.473 -0.692 -4.234 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 -0.224 1.901 -0.235 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 -5.106 2.439 -1.206 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 -10.557 -6.549 -23.217 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 2.226 5.429 8.054 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 -1.040 -0.283 -2.911 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 -34.801 -3.638 -17.155 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 -1.394 4.511 -8.785 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 5.268 -2.579 8.071 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 7.730 15.767 8.128 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 6.780 -3.771 -1.515 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 1.741 -5.780 -1.595 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 27.044 -2.369 16.846 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 1.795 -4.201 36.393 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 4.476 7.766 -0.767 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 9.185 11.897 -9.527 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 18.713 9.408 0.960 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 -9.667 -3.427 5.359 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 -11.667 -6.111 2.361 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 -1.101 4.289 21.433 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 -4.130 4.945 -4.055 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 22.171 32.977 -2.898 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 10.555 24.023 -7.802 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 3.213 -2.113 -0.661 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 -5.218 -8.906 -3.633 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 2.138 1.603 -8.267 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 3.850 1.076 -3.234 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 -5.025 -23.173 -17.318 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 11.467 -0.358 7.779 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 2.125 -2.394 1.885 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 7.351 -2.682 -0.029 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 1.396 -10.249 5.745 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 4.980 3.106 1.398 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 15.067 1.393 -1.511 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 15.058 -6.060 -4.768 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 0.647 -3.435 0.121 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 7.684 -5.781 6.366 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 -2.591 -9.080 19.511 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 3.876 -0.767 -1.175 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 0.774 1.001 -17.406 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 4.381 -3.581 -6.469 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 1.920 5.318 3.163 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 12.806 5.320 0.144 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 11.422 2.277 11.120 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 3.851 4.649 6.855 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 10.219 10.130 -17.053 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 -10.440 2.456 -18.883 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 5.992 2.063 4.224 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 3.625 -18.022 3.902 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 -4.101 10.583 -9.624 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 -1.248 -5.405 6.001 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 3.178 -27.897 22.494 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 5.810 -5.009 -4.746 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 -1.833 -1.410 0.178 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 -1.150 -6.771 3.069 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 2.839 -5.469 -3.294 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 -6.443 0.315 -3.341 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 -4.186 8.240 2.231 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 3.591 -1.889 -15.035 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 -2.187 -4.316 1.618 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 0.597 -5.474 0.479 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 -2.761 -8.183 -2.053 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 2.883 6.775 -0.357 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 -20.441 4.137 -19.461 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 4.121 14.289 -19.036 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 -7.261 -0.019 3.079 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 -4.123 -9.031 0.759 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 -4.599 4.929 -4.137 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 -3.367 1.864 1.484 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 13.270 11.885 -7.943 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 5.001 3.862 8.334 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 -3.851 -3.013 3.507 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 14.341 3.734 -10.903 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 -10.333 -5.306 11.140 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 2.080 2.150 0.022 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 4.701 9.427 -4.616 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 -4.875 3.913 4.195 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 0.098 9.710 2.821 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 -1.689 12.452 1.246 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 0.817 19.794 -7.570 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 -2.908 -3.544 -3.666 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 -1.492 -2.979 9.140 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 -0.298 4.111 1.247 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 1.985 5.776 -3.328 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 13.272 15.665 1.615 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 -6.117 13.036 -9.499 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 2.825 -7.308 1.292 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 24.578 -11.958 -12.512 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 33.922 21.893 -16.445 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 2.355 4.105 -1.958 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 4.621 -2.606 -10.256 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 15.906 13.755 -14.384 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 4.505 0.848 0.358 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 16.799 14.014 5.587 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 7.794 -12.526 8.388 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 -7.195 -0.739 1.114 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 -9.838 -16.673 5.950 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 -5.143 0.206 0.543 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 -6.411 3.372 2.418 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 6.394 24.457 -23.216 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 -11.366 29.648 10.285 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 -5.172 -3.901 3.616 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 -5.555 -3.163 -14.052 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 -13.196 -15.032 -0.094 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 0.514 1.193 -6.195 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 -5.308 0.937 -18.462 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 -8.206 15.592 -21.948 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 -3.092 0.407 -0.413 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 -7.490 -1.681 -2.790 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 -2.035 7.845 3.640 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 -3.655 0.212 4.199 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 13.233 4.232 7.043 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 -6.812 -5.085 8.536 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 1.673 -6.575 0.164 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 6.066 -0.119 -9.366 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 8.667 10.200 -25.996 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 1.027 6.337 0.837 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 11.664 0.495 22.324 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 4.915 10.283 -1.788 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 2.940 3.310 -3.591 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 -5.478 -21.906 -15.292 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 14.415 10.485 3.539 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 2.923 7.708 -0.302 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 8.924 -6.386 -17.332 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 -15.669 10.897 8.806 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 -9.609 3.171 -0.128 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 -3.059 9.817 -0.024 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 -5.747 -1.074 6.144 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 0.898 -1.456 -0.315 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 -26.806 22.746 -6.970 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 3.512 8.257 -10.005 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 3.006 -2.311 -0.661 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 7.433 6.168 -14.532 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 10.426 -16.534 -0.976 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 -2.011 -1.905 3.280 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 -8.868 0.313 2.617 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 1.418 6.293 3.737 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 2.921 3.764 -6.399 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 -0.439 -48.362 -41.161 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 -4.905 -2.300 -14.061 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 -0.717 1.874 -1.683 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 -2.529 0.776 2.072 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 9.488 4.545 -17.320 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 0.953 4.955 3.264 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 21.796 -4.680 16.532 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 32.093 -12.041 3.794 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 -5.461 -0.759 0.370 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 -3.685 -4.276 -9.244 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 -8.019 9.626 24.916 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 -3.369 -7.532 -1.211 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 14.683 -24.681 7.508 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 -9.878 -5.502 -7.464 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 -4.497 2.456 0.871 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 -17.020 -20.571 11.604 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 -2.279 3.112 14.498 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 -3.281 -0.555 2.466 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 -5.431 0.918 14.919 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 -6.308 0.865 10.073 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 1.378 -1.514 -4.348 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 27.138 -16.349 2.807 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 -16.180 6.429 9.544 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 1.966 -2.228 -0.789 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 -10.626 8.883 -3.730 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 -2.136 -11.081 -14.692 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 3.981 -2.051 2.270 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 5.896 2.352 3.509 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 8.810 -8.001 -1.964 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 2.740 -3.147 4.907 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 -1.250 -4.247 6.118 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 0.064 -3.742 7.972 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 6.829 5.168 -5.786 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 -3.528 8.137 13.271 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 3.111 -8.167 18.926 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 1.125 -3.710 -4.213 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 5.008 -13.199 -10.330 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 1.491 5.181 -12.969 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 -3.567 -5.057 -7.895 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 8.666 -6.287 -4.584 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 -7.514 -17.392 -10.001 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 0.618 2.347 1.150 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 2.093 0.828 1.723 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 2.145 0.842 1.947 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 2.006 -1.324 4.988 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 -4.312 4.384 2.019 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 -9.489 9.923 -3.327 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 -3.166 0.790 4.032 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 -18.750 -0.366 -3.749 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 2.522 -16.851 3.320 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 2.905 5.239 4.071 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 -15.997 11.757 20.338 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 9.529 -12.652 -15.075 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 2.404 -1.396 4.152 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 3.190 1.114 9.261 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 -2.246 -0.531 1.008 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 1.271 -8.083 3.364 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 -11.013 -8.375 19.825 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 -21.645 -15.913 6.091 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 4.550 3.471 1.921 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 -9.956 9.214 4.153 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 -0.754 3.115 5.171 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 -0.751 7.017 -3.429 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 -14.875 -0.010 -12.717 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 9.876 -9.625 0.013 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 2.909 4.885 4.463 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 9.350 -16.372 -1.906 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 12.617 -11.823 -0.588 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 3.405 4.146 -6.164 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 -6.452 -4.788 -6.648 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 -4.245 1.336 0.371 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 1.660 -2.255 3.660 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 2.247 0.452 -16.376 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 -8.220 -12.930 -20.288 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 5.185 0.913 2.150 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 14.401 21.518 -0.347 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 15.290 18.881 34.581 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 0.248 0.935 -4.017 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 -16.245 -7.574 8.466 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 -16.876 7.806 -33.284 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 -6.954 -4.506 10.802 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 -3.731 -10.460 7.289 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 -1.406 -10.448 -0.365 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 -3.754 -3.804 -0.787 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 2.347 -9.653 -4.883 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 -23.230 13.154 13.436 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 -4.152 0.546 6.214 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 21.955 28.651 7.960 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 0.021 14.654 1.093 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 5.359 -0.159 -5.306 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 8.827 -9.745 3.157 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 -5.339 -3.453 -9.879 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 5.468 1.674 -3.289 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 -29.043 15.559 8.889 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 14.549 -27.451 16.615 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 -0.983 1.351 -2.476 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 15.377 -11.919 35.585 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 16.937 -7.584 0.929 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 -0.878 -6.265 -4.124 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 20.008 -0.402 13.333 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 -9.194 18.952 -4.490 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 1.360 1.757 5.243 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 -4.879 -0.983 17.905 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 -3.595 -6.028 -1.556 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 2.445 6.905 1.925 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 19.414 29.992 13.777 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 3.435 11.227 -4.256 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 4.866 3.942 -2.549 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 6.830 -4.533 0.460 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 -18.253 20.966 -15.167 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 1.326 -0.403 0.221 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 4.607 0.005 -6.992 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 -5.066 -3.324 11.831 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 -1.107 -3.676 3.426 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 -11.067 0.839 4.299 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 9.254 -9.758 -1.265 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 3.487 -7.116 -4.504 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 2.020 -8.608 -6.721 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 0.689 -11.358 -3.280 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 -6.389 0.453 1.179 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 -13.144 -5.506 1.694 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 -9.877 4.817 -13.596 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 2.137 5.705 0.591 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 18.111 -1.367 -9.912 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 -8.843 4.738 -12.402 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 4.507 -3.302 2.201 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 7.148 0.089 -1.028 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 1.413 -7.158 2.606 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 -4.456 -3.379 3.704 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 -23.883 -16.277 -8.925 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 -19.296 0.893 -13.930 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 1.411 7.169 -3.167 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 -1.152 12.279 -11.894 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 10.455 4.281 5.184 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 -1.341 4.491 -1.882 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 1.620 -6.759 7.229 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 11.509 18.728 -23.727 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 -0.692 -2.543 3.638 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 -5.957 -6.557 -22.938 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 0.296 15.560 -5.692 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 0.685 -1.827 3.048 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 -3.131 2.499 10.534 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 9.524 -15.291 6.423 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 -0.735 2.631 3.230 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 -8.690 6.812 6.462 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 6.039 -11.877 -15.092 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 -1.222 -1.978 1.692 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 -8.142 18.420 0.182 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 -14.105 -11.199 16.115 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 -2.219 5.768 2.615 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 -5.070 7.953 12.814 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 -5.565 -8.487 4.804 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 2.092 -9.857 -6.320 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 1.488 -17.448 16.212 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 -1.404 -18.774 -0.357 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 3.922 3.668 -7.492 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 -1.187 -6.984 -12.028 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 9.033 2.473 -3.071 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 -4.640 -2.741 0.845 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 -4.364 -1.643 -0.799 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 -14.969 13.084 -10.649 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 -2.125 2.554 -0.877 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 -19.143 -0.007 17.511 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 17.253 44.040 -8.410 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 3.138 -2.856 -5.062 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 9.713 -8.164 -13.100 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 -1.193 -0.268 1.196 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 0.077 -0.685 1.914 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 -10.674 -1.884 9.469 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 2.382 -7.457 -7.476 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 -1.639 2.713 -1.184 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 -17.319 28.139 -36.504 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 -1.278 20.331 9.604 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 -4.706 4.574 2.404 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 -4.157 2.547 21.042 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 3.266 5.791 -10.475 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 -6.623 -0.082 1.371 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 -8.760 3.316 4.658 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 -4.830 -0.767 -7.468 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 5.874 -7.775 -1.985 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 -16.374 14.297 6.925 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 -10.435 -3.917 -4.823 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 -2.480 -5.692 -0.350 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 26.387 0.611 15.297 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 4.448 4.539 -6.010 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 -1.874 -5.255 -2.692 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 4.583 -15.123 0.913 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 -6.311 7.919 13.283 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 -5.931 1.274 3.131 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 -18.482 -12.900 5.067 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 9.194 -12.071 10.150 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 -4.009 -5.156 3.911 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 -4.863 -16.644 -10.607 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 -9.390 19.713 -0.378 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 0.529 4.380 -2.713 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 3.579 2.018 -6.966 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 -15.107 -9.339 -2.995 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 -1.352 10.390 2.344 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 3.316 8.334 6.531 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 -0.449 9.950 3.016 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 4.429 -4.327 2.533 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 -22.121 -1.793 -0.051 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 -9.392 -5.588 1.742 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 -1.392 4.658 -3.164 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 5.705 8.191 1.259 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 6.786 2.292 -11.440 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 -0.645 4.099 3.633 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 1.711 4.757 1.189 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 -3.001 -0.776 2.478 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 1.040 -8.732 2.780 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 -0.037 6.745 6.430 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 1.331 -8.639 1.686 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 4.275 1.849 2.829 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 8.144 0.297 -0.620 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 8.274 -2.824 -3.670 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 -2.737 2.027 -1.009 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 -4.870 3.814 1.259 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 -2.848 1.261 30.060 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 1.909 4.081 -0.141 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 -7.348 -1.991 -2.196 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 16.905 -4.869 11.026 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 1.681 3.404 0.173 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 -6.349 -7.494 10.739 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 -4.605 9.330 -3.889 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 3.994 6.597 -1.217 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 16.628 -6.250 0.833 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 16.102 3.905 -2.441 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 4.412 -2.396 -5.203 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 -21.791 17.105 6.950 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 12.690 -25.372 -14.827 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 -2.445 2.404 10.768 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 -14.888 11.061 18.016 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 12.305 12.482 12.690 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 0.640 4.499 -0.958 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 -6.153 21.437 -0.339 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 -5.710 -7.196 -1.260 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 2.854 -3.878 2.820 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 4.766 -9.005 2.247 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 -8.542 19.057 3.866 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 8.774 1.588 -2.725 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 -1.970 7.922 -0.943 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 -1.427 7.341 -1.104 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 -1.430 0.919 4.577 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 -0.397 -18.122 -6.458 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 20.132 1.653 26.606 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 0.145 1.829 -3.833 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 1.798 -0.742 -3.707 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 16.266 -3.571 -4.876 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 -8.351 3.358 -3.355 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 -6.486 -10.928 -16.829 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 -12.523 -11.001 -18.180 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 -1.663 -3.406 -1.923 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 3.285 8.084 -1.193 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 -0.725 -6.487 10.239 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 -6.458 -7.466 0.966 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 -15.113 -20.174 32.609 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 22.475 -13.045 -18.642 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 4.617 -2.018 -1.167 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 6.966 -0.881 -11.120 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 22.878 -5.044 4.093 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 1.180 -8.022 0.957 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 -0.056 -8.952 -14.015 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 6.369 41.090 -8.189 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 4.372 -1.629 4.827 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 -11.591 8.139 15.622 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 -4.105 2.600 9.832 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 -1.715 0.175 -3.134 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 -0.022 27.662 -0.278 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 -24.660 5.404 -13.704 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 3.842 0.109 1.102 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 1.638 -21.953 -16.879 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 12.274 14.701 1.488 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 -2.730 -1.891 8.297 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 -12.860 -0.914 13.944 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 -7.812 -0.332 4.614 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 -3.192 -4.014 2.954 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 -11.543 -17.591 10.191 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 -3.060 -8.624 4.519 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 -7.006 -2.391 11.955 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 21.277 50.548 15.682 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 -12.280 6.082 20.569 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 0.378 -4.469 0.583 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 1.567 -11.777 8.525 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 0.779 -7.102 3.234 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 2.921 -3.297 8.529 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 25.068 6.365 -2.353 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 -18.260 -10.558 18.065 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 4.122 4.457 6.051 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 -7.618 -6.940 -16.157 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 -19.721 -1.386 -28.123 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 3.533 1.577 1.713 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 -0.286 0.686 -13.533 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 14.379 -13.121 5.582 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 2.438 -7.631 -2.701 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 7.395 -2.488 -2.508 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 7.743 -5.261 -1.198 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 5.121 -7.705 -5.515 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 6.462 13.137 16.642 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 -8.005 0.308 8.839 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 7.747 4.683 -3.168 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 1.230 9.611 -9.205 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 15.191 -20.116 1.551 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 4.085 3.989 -5.063 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 -3.299 -4.540 2.160 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 2.721 -10.022 6.499 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 5.058 -2.246 -0.680 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 9.738 -3.382 6.427 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 10.430 0.676 -5.599 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 4.132 1.861 1.351 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 -3.376 -9.605 5.614 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 5.784 5.398 4.671 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 -2.062 2.959 -2.271 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 -15.597 -12.468 22.022 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 -7.871 0.472 -12.297 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 4.865 0.633 0.281 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 -6.860 0.858 -9.015 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 12.867 -2.078 1.868 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 0.202 -0.112 1.211 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 3.823 -39.358 -8.825 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 -0.504 18.011 0.031 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 -0.045 2.451 -1.194 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 -0.795 1.281 4.780 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 2.888 3.213 0.833 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 3.840 -2.399 6.263 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 9.515 -5.896 -7.652 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 8.724 0.459 8.347 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 -7.194 -0.726 -4.935 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 20.009 10.627 -2.568 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 -4.885 -5.765 5.285 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 0.996 -0.738 5.067 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 -7.298 15.386 -4.622 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 1.514 0.916 15.891 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 3.451 -0.082 -6.781 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 1.081 -10.180 -8.083 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 -0.371 15.083 -13.541 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 -2.567 -3.407 -4.527 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 14.025 -4.988 3.463 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 13.939 -27.996 -0.306 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 -2.185 -0.647 2.413 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 -17.495 8.053 26.861 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 3.371 -8.660 2.980 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 -2.517 -5.163 -2.780 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 -7.337 3.377 -2.249 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 27.718 2.966 4.370 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 -1.016 -2.807 0.118 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 15.903 -9.846 7.332 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 10.692 -12.352 -8.323 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 6.773 7.817 -6.631 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 -5.873 30.542 -2.954 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 10.149 15.877 -21.566 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 -0.493 -1.684 8.876 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 -12.822 4.687 7.928 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 18.908 1.504 -33.519 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 -1.790 -3.337 4.708 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 10.265 -21.797 8.452 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 -6.703 9.198 1.088 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 -0.772 4.985 6.309 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 19.806 37.329 20.609 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 -2.401 1.438 0.407 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 2.447 0.816 5.099 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 6.173 -1.134 14.757 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 5.862 0.553 8.848 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 5.765 0.398 -10.110 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 12.926 9.024 2.388 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 -16.479 3.544 19.747 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 -3.145 4.807 -2.706 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 -5.105 -2.903 7.503 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 8.195 1.559 -0.447 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 1.086 5.747 -5.021 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 5.697 -19.397 -2.128 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 -4.437 12.145 18.322 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 -1.852 6.882 -6.545 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 -7.211 9.346 -10.507 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 3.884 5.541 -11.964 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 -8.896 1.642 4.017 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 3.097 29.534 -16.081 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 -8.901 -2.172 -4.940 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 -6.013 0.135 -2.146 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 1.124 -11.232 -2.871 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 -19.151 -3.982 -2.339 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 2.958 -2.702 -3.257 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 0.589 -4.986 0.290 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 -12.077 -14.872 13.476 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 -2.822 1.992 3.926 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 17.086 -5.478 12.828 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 -14.123 -19.063 -31.545 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 5.006 2.261 0.414 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 16.980 -1.725 -1.215 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 19.469 28.776 9.972 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 -1.847 5.828 -1.784 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 -0.291 1.070 4.099 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 1.868 -23.026 24.590 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 5.710 -2.921 -3.404 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 -12.789 12.116 -13.755 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 0.696 -6.515 5.765 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 -0.451 3.669 -2.826 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 2.124 4.916 -7.087 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 -4.357 3.484 -4.321 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 -2.926 -1.157 -0.836 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 15.766 -1.997 37.103 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 -15.254 -1.298 -23.190 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 0.002 -4.526 1.814 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 0.757 1.822 -8.820 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 -3.715 6.848 2.044 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 -3.963 -1.202 -2.383 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 -1.972 -3.488 3.730 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 0.219 -0.503 -13.263 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 -0.278 6.780 1.970 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 2.554 1.338 3.572 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 23.514 1.561 7.875 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 0.934 1.603 0.047 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 9.974 -16.963 -17.397 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 -12.438 -6.147 13.750 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 0.154 2.545 6.663 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 16.620 -2.557 -10.761 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 -4.879 -17.709 -18.491 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 -2.575 3.663 0.862 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 -10.356 3.096 -20.498 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 1.128 4.962 6.839 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 3.251 -5.521 2.062 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 0.078 8.962 13.821 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 -0.801 -18.665 6.476 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 3.566 1.913 3.670 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 5.776 5.288 3.011 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 6.896 19.638 -9.688 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 -2.289 -0.518 0.909 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 -3.989 11.424 -5.535 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 -0.166 -11.749 -15.940 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 1.922 -7.228 4.714 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 -0.760 -1.821 22.634 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 0.322 -20.651 0.611 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 7.318 0.313 3.697 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 7.468 0.335 3.778 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 7.068 -1.163 2.248 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 -2.904 -1.721 1.551 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 -12.735 -17.099 4.110 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 -28.632 17.360 -8.603 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 4.361 -1.805 5.865 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 3.474 -1.279 -0.877 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 -2.566 -8.078 12.177 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 2.067 9.299 -3.052 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 -6.331 0.384 -9.262 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 14.563 22.471 8.880 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 -2.854 1.109 -4.911 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 -1.427 2.023 4.538 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 21.492 -19.522 9.932 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 -6.081 -1.282 -0.178 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 2.439 -3.698 -1.190 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 -3.696 -2.477 0.423 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 3.946 -2.849 -1.847 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 11.993 3.090 -14.030 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 10.013 2.821 14.391 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 -2.726 -1.533 1.490 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 0.713 -2.056 -5.297 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 5.080 5.052 -1.112 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 1.633 -6.693 -0.255 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 18.992 20.746 18.725 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 16.201 7.780 -35.674 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 -1.104 -6.507 -0.104 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 0.388 4.008 -13.277 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 -0.739 -13.518 2.137 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 -5.114 1.696 3.986 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 -1.262 -3.783 -0.044 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 -11.141 10.852 10.395 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 -1.682 4.936 0.025 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 -2.188 -2.484 -2.324 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 -8.407 3.299 1.062 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 -1.015 -5.304 -0.159 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 -0.564 -12.776 4.069 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 -4.529 2.094 -0.614 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 -1.036 -1.624 3.394 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 2.783 3.656 11.346 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 7.460 -7.872 -26.507 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 -2.303 1.299 0.250 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 25.512 -1.125 6.478 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 -11.936 4.471 19.397 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 -7.209 -3.161 -3.415 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 -9.731 -16.376 1.489 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 0.022 -4.723 -15.194 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 2.544 -4.161 7.174 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 24.518 -7.261 15.875 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 4.352 -4.119 5.865 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 5.656 -1.893 2.452 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 3.375 2.637 -9.205 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 6.082 -7.556 17.160 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 -5.356 -3.240 -1.277 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 -9.244 -0.000 -5.643 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 5.457 1.411 -8.827 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 0.288 1.776 -5.538 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 -0.371 4.402 -5.500 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 -3.100 3.484 1.918 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 -2.923 6.554 0.723 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 2.491 -4.358 2.509 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 -15.567 35.206 -3.595 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 -8.766 5.871 -0.739 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 -6.878 19.330 -5.266 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 3.020 0.932 5.820 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 2.199 0.904 -4.117 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 3.174 1.642 -4.324 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 3.544 0.418 -1.783 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 -1.258 3.412 -1.232 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 6.585 13.143 3.755 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 -11.713 -5.584 -10.984 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 3.582 2.190 3.653 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 1.077 0.438 -1.396 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 19.709 8.206 15.057 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 -2.559 -1.434 7.447 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 2.242 7.207 13.314 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 4.108 -11.354 12.653 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 -1.927 1.489 -1.921 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 -6.854 -1.155 12.276 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 16.839 -5.754 7.391 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 0.990 3.794 -0.141 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 -4.559 -10.060 -7.346 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 11.773 -2.074 -5.395 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 1.414 0.675 -2.536 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 -3.643 -1.001 -12.545 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 -14.972 10.219 -7.576 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 -2.704 2.678 6.050 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 -22.798 -17.987 0.707 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 2.104 12.148 10.803 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 -1.127 -0.004 0.918 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 14.010 10.499 -0.304 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 -22.647 -11.614 22.460 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 1.426 4.662 -3.496 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 -22.216 -7.790 -7.782 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 -6.404 -22.396 4.029 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 -0.534 2.026 6.898 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 5.701 -4.920 1.323 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 22.011 33.377 0.926 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 -0.722 1.710 -0.888 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 6.583 -6.167 -11.624 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 4.453 -4.749 14.041 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 0.624 -3.122 -4.730 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 7.574 2.073 4.878 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 9.222 15.527 -14.080 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 3.429 1.955 -6.561 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 -5.787 -5.759 -6.145 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 2.037 20.051 -10.120 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 -4.173 -1.403 -7.193 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 -7.029 17.104 1.321 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 -15.562 -4.623 1.492 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 -1.496 -1.719 -6.332 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 13.684 3.071 1.474 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 -3.177 -4.733 -3.282 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 -3.666 -4.409 -3.590 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 6.319 -13.978 -2.847 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 -25.621 -27.065 13.626 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 5.128 -4.726 -0.467 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 14.680 3.997 -4.590 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 6.165 -2.652 -1.998 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 0.237 0.702 -2.033 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 -2.657 3.884 6.966 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 3.956 -3.636 -13.575 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 5.787 -4.039 -0.714 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 19.662 8.264 24.490 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 3.200 -7.252 9.665 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 3.796 9.231 3.663 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 21.506 11.156 7.691 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 -0.666 20.280 -10.323 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 4.660 -4.806 -1.902 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 4.824 -7.642 -20.874 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 -0.910 -1.454 -18.037 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 -4.107 3.679 1.783 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 -5.516 -1.816 -2.684 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 -6.883 -0.518 -1.476 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 2.999 3.375 -0.701 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 5.764 1.099 -20.317 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 11.540 -19.236 1.969 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 -0.577 7.386 2.563 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 -11.683 13.151 6.792 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 14.028 10.178 -0.427 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 -7.654 4.474 4.945 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 -5.692 21.445 8.798 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 -22.855 -1.111 12.234 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 8.095 1.171 0.722 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 -1.660 -10.037 3.640 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 9.710 0.725 1.068 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 4.668 0.457 -4.004 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 14.496 7.575 -13.149 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 -0.667 3.882 -0.611 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 2.666 -5.497 -1.745 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 12.869 -8.005 2.267 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 -19.839 -15.860 14.406 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 -5.161 8.381 -2.520 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 2.489 13.754 -16.091 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 -0.402 -6.778 4.249 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 4.777 -0.348 0.899 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 19.741 -14.025 2.306 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 -18.749 14.205 -5.671 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 0.065 3.622 -0.069 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 0.326 -3.443 2.850 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 11.722 -18.568 2.389 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 -2.537 -5.032 1.444 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 -9.640 -10.248 -11.777 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 1.962 -4.767 8.912 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 -1.064 4.587 1.134 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 10.301 -1.282 -5.569 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 6.804 -30.947 3.346 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 4.198 8.670 -4.295 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 -3.910 -18.938 2.834 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 -16.604 -3.559 25.819 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 2.559 -2.864 9.236 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 13.824 -9.046 23.054 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 -25.365 -12.601 -5.135 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 -4.262 5.193 6.038 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 -18.502 0.049 9.887 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 5.638 2.339 -0.614 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 -0.331 0.945 1.450 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 4.968 -7.320 13.160 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 33.902 -22.001 -9.378 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 5.960 -5.629 1.840 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 5.416 6.586 -22.316 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 -21.427 16.957 1.836 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 4.861 3.747 0.746 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 -2.410 -13.006 -7.424 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 22.574 7.212 -9.126 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 5.870 -0.445 5.309 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 5.981 -1.038 -2.960 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 4.469 -2.215 -1.678 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 4.677 -9.665 4.383 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 -9.941 -9.788 0.949 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 11.035 -7.352 6.617 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 -1.531 -1.149 -2.423 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 -1.750 12.230 11.119 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 -14.637 -7.757 5.749 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 -1.828 -1.957 -4.758 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 16.544 -15.248 14.186 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 -7.594 -11.976 -12.003 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 0.972 4.760 2.172 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 -3.549 8.377 -2.093 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 7.684 2.267 3.439 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 4.945 1.149 -1.977 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 2.368 1.087 0.850 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 3.684 -2.801 -7.818 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 2.523 1.630 4.365 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 17.877 2.101 6.942 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 2.201 -7.215 -0.499 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 0.853 4.109 4.410 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 9.046 11.558 5.194 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 -8.453 7.552 16.986 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 -1.357 0.889 7.781 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 1.091 -10.711 -1.082 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 -13.740 17.231 2.144 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 0.892 -2.931 4.395 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 -0.818 7.519 -11.241 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 6.604 -16.050 3.590 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 1.859 2.817 -1.642 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 -4.914 8.214 12.359 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 19.566 7.960 -5.047 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 -1.073 1.633 -9.732 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 -28.415 18.185 -5.622 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 20.244 21.898 -30.416 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 1.027 -2.382 -3.233 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 0.974 3.509 21.437 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 -1.095 -9.714 -15.947 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 6.943 3.578 -0.572 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 -16.466 -3.217 4.897 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 -4.035 23.752 9.304 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 6.395 -5.068 3.146 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 -2.370 27.352 0.515 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 2.776 4.087 33.422 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 3.967 4.712 -5.120 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 3.577 6.639 -5.370 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 -4.921 -3.069 -6.190 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 -4.443 2.402 -1.442 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 -8.219 3.283 -6.196 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 12.432 -36.014 13.920 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 -0.044 -3.167 -0.795 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 13.413 -4.367 -1.721 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 0.266 7.399 -1.027 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 4.408 0.225 -2.465 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 -8.620 -27.974 10.200 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 4.745 -15.610 17.844 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 2.255 6.825 -0.763 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 5.184 2.252 -8.098 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 9.557 6.734 -7.033 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 6.227 -4.092 -6.131 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 2.866 -0.408 -3.317 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 4.791 0.043 -3.240 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 5.254 -5.764 1.045 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 13.113 14.085 -13.668 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 2.881 4.480 24.362 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 1.083 -4.355 -2.905 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 -21.996 11.045 -3.070 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 3.606 -12.815 -2.374 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 4.631 -4.839 -5.076 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 1.862 -12.241 2.724 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 -3.909 -4.839 10.543 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 -0.420 1.827 -0.654 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 8.151 2.031 -0.385 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 -15.528 -2.792 7.677 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 1.841 2.569 5.257 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 1.788 0.167 5.560 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 1.050 -5.375 10.773 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 1.631 -8.840 -1.615 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 0.529 5.658 -13.013 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 2.245 3.212 -1.055 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 9.745 -5.569 4.535 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 1.088 -16.122 9.478 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 21.634 -14.776 2.188 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 -4.454 -0.510 -7.032 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 -6.578 -21.012 -5.568 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 -2.398 -7.766 -6.416 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 2.872 0.952 -4.579 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 0.168 5.149 -7.081 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 -16.033 9.229 -11.174 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 5.592 -2.539 0.993 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 5.104 4.723 33.909 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 -13.390 4.688 10.338 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 3.202 -1.052 -2.021 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 9.413 -19.132 -27.198 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 3.807 14.125 -13.049 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 1.266 0.247 8.410 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 -8.562 -3.678 -12.363 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 15.027 -13.436 -16.990 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 -1.356 0.666 1.808 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 -11.769 5.694 -3.531 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 -19.149 -3.762 4.619 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 2.605 -1.159 2.396 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 19.473 -1.632 -14.454 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 14.258 1.486 -15.491 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 -5.376 1.506 7.564 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 -7.545 -2.848 5.360 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 -9.371 -2.746 -16.720 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 -2.790 4.290 -2.326 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 -18.562 11.169 20.800 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 -20.730 20.056 22.964 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 -5.255 -0.853 0.149 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 -1.625 8.332 -31.443 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 -18.461 4.164 -13.192 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 -2.674 -0.077 0.040 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 -5.537 24.438 27.021 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 24.658 -10.549 5.830 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 2.909 8.841 -0.940 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 1.479 6.661 -3.089 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 15.663 18.354 -9.113 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 1.452 1.231 -3.694 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 1.067 28.844 14.921 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 -15.139 9.658 9.512 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 -2.068 2.318 5.121 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 -5.182 -28.518 12.043 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 -19.052 16.455 8.043 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 -5.757 -0.168 -3.053 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 -30.935 -1.415 -3.507 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 8.959 -27.996 8.677 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 2.081 3.442 3.274 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 -10.156 -16.414 14.488 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 11.226 13.020 23.719 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 -2.293 3.663 4.743 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 7.650 5.259 4.037 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 -6.463 10.561 -2.154 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 3.616 -1.585 -2.427 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 -21.444 -13.696 9.891 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 6.108 26.583 -17.301 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 7.573 4.620 -2.453 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 21.098 3.659 5.518 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 -12.862 13.491 -21.499 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 1.838 5.003 -2.023 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 -11.116 28.458 16.203 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 -3.518 -15.991 7.012 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 -2.599 -4.632 3.148 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 18.077 -18.226 11.253 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 4.403 -4.629 -12.228 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 -3.285 2.552 3.386 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 37.752 6.670 -6.772 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 11.379 -5.333 6.602 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 -0.552 -0.993 -2.644 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 -1.422 20.321 1.238 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 -16.745 -8.140 8.429 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 0.490 -5.670 1.353 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 0.749 10.542 3.983 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 -8.186 1.086 -14.596 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 -3.045 -0.178 -4.910 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 -0.815 21.895 -3.791 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 -12.752 -9.906 -22.817 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 -2.534 3.590 1.607 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 19.336 8.948 16.631 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 -18.232 2.952 -6.331 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 0.958 3.078 -1.459 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 24.281 -4.871 12.392 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 -13.526 8.445 7.612 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 -0.531 1.622 3.585 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 -0.692 14.903 9.519 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 -4.100 11.919 11.493 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 0.092 -1.929 9.349 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 13.300 -0.701 -7.484 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 -28.732 -28.865 22.226 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 2.590 6.245 -1.888 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 -9.716 7.113 9.523 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 31.445 -8.549 -34.787 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 -2.493 -3.316 -2.421 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 4.349 -6.509 0.583 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 -5.067 -4.079 -0.567 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 3.739 -8.160 3.038 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 3.519 13.432 -0.891 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 -5.025 8.328 1.557 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 -1.467 -2.616 -3.959 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 -14.600 -8.058 -17.874 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 -7.649 11.844 -3.644 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 -2.179 -3.499 2.223 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 -6.708 -45.546 -21.352 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 -10.169 -10.162 16.521 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 -1.422 -1.186 -3.383 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 -0.970 -29.116 4.966 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 3.597 -6.800 2.028 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 -2.682 3.981 -1.121 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 -3.759 -13.427 7.883 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 -10.435 16.005 10.101 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 -3.078 -0.864 -2.675 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 6.985 11.060 24.655 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 5.201 -8.405 -18.399 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 1.860 -2.744 1.132 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 0.703 7.016 17.550 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 -7.309 -15.916 12.751 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 -6.626 3.324 1.011 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 -17.847 18.576 -3.675 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 -24.922 -11.908 7.372 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 -1.215 -10.518 7.279 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 -3.132 -6.651 0.985 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 47.732 14.440 1.057 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 -1.083 -5.990 1.712 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 -0.930 -9.666 0.350 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 -0.062 -7.094 -6.326 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 -0.188 8.108 4.584 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 22.035 -1.733 -5.246 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 -12.226 13.795 9.960 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 -0.441 5.832 -3.984 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 4.007 1.295 -4.674 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 -7.186 21.817 -5.972 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 0.561 1.300 10.550 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 -8.368 -1.818 -0.236 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 -1.889 -0.404 7.490 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 1.692 -4.473 3.164 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 -3.911 7.268 0.168 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 -2.995 7.447 -0.305 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 5.030 2.192 -1.860 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 -1.142 -16.166 5.369 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 -25.467 6.658 -14.182 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 -6.127 1.294 -5.678 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 -0.178 5.604 -2.078 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 12.746 20.588 10.069 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 0.850 -1.853 -1.909 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 -35.875 17.274 -4.017 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 -3.060 -12.582 8.193 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 -3.686 2.987 1.482 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 20.456 5.579 -4.829 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 2.396 -0.558 6.495 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 -3.376 0.810 0.477 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 4.813 -1.587 -4.588 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 -3.620 -1.891 -29.238 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 -9.607 6.152 3.708 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 -15.053 8.359 10.918 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 3.771 -2.623 -2.014 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 -2.313 8.072 0.474 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 -4.630 -4.073 1.461 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 19.153 19.593 10.737 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 -4.681 1.941 -10.430 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 -20.630 18.318 -16.319 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 4.807 -7.205 -7.259 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 -2.661 -1.188 -2.437 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 -9.086 -14.233 18.373 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 -12.514 30.989 -0.012 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 1.636 -0.409 2.533 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 4.913 -6.018 -9.674 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 17.676 1.283 4.551 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 7.197 3.782 -1.896 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 4.710 11.690 33.263 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 -21.106 -18.065 -7.763 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 2.453 2.025 1.900 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 30.191 0.274 3.560 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 -0.519 -21.660 -2.062 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 1.554 -2.243 -2.271 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 -1.784 -5.416 -19.866 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 -0.246 -1.911 -8.973 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 0.974 5.258 -2.231 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 -16.592 -5.038 -8.600 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 1.974 3.430 -6.307 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 -2.622 1.198 3.182 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 -5.927 -13.650 -6.312 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 -0.236 25.272 5.648 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 -1.090 2.086 3.745 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 14.873 9.862 22.130 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 5.956 -0.819 13.960 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 -0.956 -1.930 -0.337 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 12.399 -15.059 -4.529 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 7.636 3.942 17.908 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 2.549 4.511 3.201 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 -6.363 -8.748 -5.425 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 -15.952 -5.564 11.182 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 0.593 1.436 3.794 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 -46.005 7.402 0.621 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 -26.944 21.266 30.496 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 0.534 4.619 1.837 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 8.739 7.871 -22.427 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 12.975 7.220 10.932 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 -2.040 -2.151 2.252 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 -0.938 7.876 -9.146 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 -2.731 -7.105 17.855 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 -0.588 2.359 8.879 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 -6.178 -14.517 -1.525 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 -0.418 1.542 8.244 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 -4.076 -2.784 -2.540 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 12.307 2.889 -2.221 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 -17.698 15.439 -26.693 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 5.085 3.326 -3.213 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 -7.341 -5.198 -9.198 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 -0.888 6.510 3.146 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 -1.571 2.237 -5.033 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 8.698 29.489 -3.063 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 -21.589 0.436 15.684 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 -7.359 5.153 0.229 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 37.147 7.186 12.614 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 25.693 -6.105 -10.801 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 -7.482 -5.430 0.410 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 -19.365 21.552 -31.506 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 28.161 -7.467 -0.452 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 5.254 -4.231 1.476 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 3.914 -2.679 0.026 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 -9.618 -8.008 -0.332 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 -2.300 -0.134 -2.369 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 14.321 2.411 0.877 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 -7.370 -15.293 4.907 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 -3.113 -6.974 1.742 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 12.448 -2.156 8.796 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 -11.680 -2.521 -2.719 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 -1.117 0.665 -3.501 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 18.618 -14.606 0.687 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 -10.505 -5.353 -0.301 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 1.596 1.131 0.389 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 -3.063 33.153 13.782 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 0.942 -0.523 -9.606 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 -5.691 -6.389 7.748 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 -15.990 0.089 16.717 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 -36.699 18.074 21.914 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 -1.645 -2.265 -0.990 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 -7.482 10.275 -2.186 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 3.246 -3.091 -1.484 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 -6.666 8.758 -2.423 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 -5.865 2.719 -2.653 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 3.409 -9.221 2.959 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 -5.542 5.853 2.779 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 -2.897 7.616 13.919 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 5.994 12.032 -2.876 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 -1.694 0.086 -0.078 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 4.657 18.994 -6.074 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 13.597 -3.076 4.950 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 -1.598 1.058 3.292 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 4.886 0.279 0.295 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 12.841 -5.684 -12.327 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 1.619 -5.491 -2.932 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 8.784 -8.909 -7.488 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 18.294 -3.850 -2.013 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 -1.855 0.200 -0.230 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 -1.974 -5.964 -10.549 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 13.955 0.277 -8.752 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 2.120 1.887 5.120 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 15.284 -16.175 12.827 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 -11.525 12.739 4.246 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 -1.688 3.645 -3.740 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 -8.622 12.470 -25.844 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 -1.077 1.590 -4.167 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 -2.881 -3.425 -8.057 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 -17.397 -0.337 -19.581 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 -12.985 12.104 23.757 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 4.144 1.351 -0.881 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 7.156 8.223 -19.225 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 4.390 -12.783 8.634 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 -0.178 4.912 -1.640 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 -0.505 -22.616 -2.933 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 -14.043 10.254 5.577 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 -0.727 -3.226 -0.590 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 10.088 -0.366 10.792 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 11.157 -3.584 2.459 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 -4.631 -10.373 6.534 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 0.889 -8.180 0.083 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 -8.925 -3.072 35.271 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 4.202 1.279 -9.390 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 -1.229 -7.526 -18.067 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 0.705 -3.725 -12.957 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 -3.456 1.883 0.142 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 4.765 5.395 6.539 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 -0.406 8.168 -8.439 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 3.468 -2.265 -0.682 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 13.581 -11.805 7.771 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 -4.815 -11.271 -9.608 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 -5.559 -7.671 -1.702 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 -0.157 -8.882 1.756 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 -10.212 -7.494 -15.234 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 -6.422 5.948 -2.368 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 -5.152 3.836 6.456 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 -14.695 1.839 0.918 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 3.486 -1.994 -0.679 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 8.725 -27.736 17.375 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 -12.240 -2.825 -6.834 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 -2.509 -6.585 -4.598 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 -7.295 -0.792 1.242 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 -23.478 -0.127 2.954 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 -4.991 -7.047 3.508 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 -21.412 14.198 0.739 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 -0.737 10.611 -20.063 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 -3.803 -2.723 -3.755 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 -7.584 -2.316 -2.624 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 -4.561 -8.996 -9.631 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 -1.663 -7.903 3.311 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 13.138 7.461 10.212 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 20.235 11.018 -22.907 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 -5.713 2.588 -5.091 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 2.241 8.743 -1.829 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 -17.066 12.488 -0.104 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 5.919 4.856 0.875 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 0.317 1.851 -1.187 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 15.522 3.541 -7.349 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 -2.047 -5.017 0.763 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 -10.254 21.442 -2.080 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 -12.973 -6.418 -1.653 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 -5.808 6.539 5.950 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 0.218 -3.646 -10.128 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 -23.949 8.261 -11.548 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 4.794 2.572 -6.112 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 9.895 -1.810 13.809 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 16.396 13.772 -8.063 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 -4.098 -7.236 6.525 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 12.667 -6.375 16.715 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 -2.594 2.341 16.867 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 9.077 -3.303 -3.518 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 -3.985 -16.273 -4.575 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 14.133 7.505 -4.925 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 7.493 -4.358 6.937 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 19.278 6.970 4.806 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 -5.125 3.874 17.194 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 -5.729 -9.285 0.013 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 6.738 17.728 18.050 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 8.623 1.574 1.884 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 -2.194 -4.720 -0.782 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 -6.904 -4.580 -1.580 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 1.526 -8.937 -4.362 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 0.759 9.087 -2.551 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 -30.065 34.016 13.295 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 26.490 0.527 12.803 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 4.731 -0.151 -2.203 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 -5.286 7.711 6.462 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 -1.522 -0.825 -29.557 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 -3.395 -4.916 0.485 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 3.770 -8.214 -12.229 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 6.634 -8.739 -3.872 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 0.409 0.187 -1.453 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 -28.068 7.525 36.712 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 22.755 9.149 -10.856 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 -3.648 0.050 3.777 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 -27.035 5.916 -5.015 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 8.063 10.076 8.821 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 1.480 -1.315 -0.887 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 1.248 -21.583 -12.971 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 -4.182 6.155 18.676 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 3.680 -5.876 2.447 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 -6.051 0.695 -2.421 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 -5.214 0.255 -0.375 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 8.844 0.119 -0.255 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 -4.702 25.523 -10.528 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 9.428 -2.288 -2.081 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 4.874 1.274 -5.857 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 3.520 3.958 -15.117 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 6.730 -15.215 -20.409 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 2.375 -11.775 0.851 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 -3.204 -8.178 0.141 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 -0.713 -7.147 -0.401 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 1.164 1.876 -5.623 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 2.320 -12.728 -2.644 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 2.045 19.470 -10.700 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 2.849 -4.863 -10.504 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 14.339 -7.435 13.165 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 19.484 -3.351 14.433 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 3.699 -5.600 -0.925 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 -11.713 -21.415 0.407 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 -7.678 8.851 -0.622 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 -6.865 -8.435 -3.477 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 -1.685 -14.092 -6.145 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 -11.443 4.928 1.380 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 -7.859 5.354 0.233 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 -1.079 1.124 6.604 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 2.646 -7.601 27.534 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 -3.729 1.358 -2.726 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 2.206 10.798 0.191 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 -3.991 -0.820 -3.877 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 -0.909 -1.970 -3.052 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 -1.645 3.228 -3.880 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 2.645 3.691 -11.015 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 2.838 -1.426 -5.581 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 -6.688 4.598 17.346 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 2.163 13.009 40.850 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 -2.017 3.311 -4.214 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 1.786 1.647 12.174 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 9.692 28.111 -7.455 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 -3.376 5.499 -0.608 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 2.441 -0.679 5.021 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 7.436 -4.712 -11.716 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 -5.468 3.079 1.162 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 12.208 -0.790 -20.729 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 -22.850 10.016 7.945 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 5.105 0.804 -4.870 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 3.042 3.246 32.389 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 -7.095 -1.639 1.339 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 -1.076 -1.462 1.535 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 -0.043 -15.782 9.493 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 -5.403 -10.842 3.074 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 0.515 -3.586 5.116 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 -5.667 -14.002 -1.881 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 1.687 19.150 -3.097 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 1.523 2.634 0.623 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 2.731 2.622 0.119 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 -16.107 6.575 -1.013 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 1.285 0.300 -4.613 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 1.903 1.025 0.967 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 -2.531 3.122 -23.334 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 8.224 -1.929 -2.678 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 1.231 8.364 2.232 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 -1.348 -10.337 -7.458 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 0.492 1.465 4.667 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 -7.018 -6.784 -2.485 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 7.608 -8.963 9.289 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 -3.311 9.458 3.765 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 -16.226 6.996 -1.454 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 3.902 -4.751 5.168 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 1.110 -5.296 1.128 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 14.674 -9.148 1.630 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 10.430 9.930 -3.121 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 5.456 -0.752 6.379 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 1.070 15.670 7.807 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 17.887 0.682 -7.963 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 -7.995 3.339 -6.876 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 -3.585 6.945 -11.753 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 -10.839 6.317 -5.052 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 0.886 1.393 5.660 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 7.989 13.215 -18.638 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 11.274 21.143 2.985 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 2.384 -0.596 3.540 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 -20.071 -26.241 -17.078 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 11.749 -1.483 9.895 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 12.441 -4.885 -0.328 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 1.974 -8.058 -4.098 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 11.310 -7.532 2.887 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 2.191 -2.498 -0.340 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 -18.034 4.303 -37.350 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 5.049 27.219 3.049 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 -0.588 2.539 5.520 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 1.484 -6.726 14.254 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 -6.483 14.533 -5.813 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 -3.380 2.843 6.120 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 -4.042 -2.788 12.190 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 -3.915 -1.582 10.545 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 2.323 0.691 4.732 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 -7.502 7.003 -19.188 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 -0.921 -4.644 -9.379 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 -4.525 -3.888 4.204 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 13.221 1.153 0.892 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 -10.193 -6.545 -1.024 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 -0.092 -0.892 -0.323 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 2.131 13.171 -1.707 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 12.774 1.005 22.536 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 3.959 0.102 3.380 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 7.161 11.968 13.611 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 3.913 7.370 -10.074 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 -3.409 4.220 -0.951 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 -7.611 11.660 20.971 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 -1.151 2.609 -10.594 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 -1.465 3.013 -1.437 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 -4.562 -0.164 4.713 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 -7.744 3.234 -4.118 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 -5.435 2.007 -0.915 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 17.270 9.114 -13.563 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 -23.247 12.121 -23.802 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 -1.422 4.083 -2.025 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 0.510 2.039 9.342 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 -16.825 8.059 -0.264 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 3.380 3.764 -7.240 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 20.088 -10.347 -8.803 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 0.772 7.232 -8.435 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 -5.832 2.064 -1.921 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 -12.603 -17.021 -3.292 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 2.592 -19.682 -10.748 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 9.361 0.610 -2.638 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 6.365 8.618 -2.368 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 12.883 -1.682 -3.241 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 4.025 -2.389 -1.565 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 -15.933 0.960 -18.230 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 -9.021 -3.453 3.406 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 2.101 -1.335 0.749 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 7.154 -13.409 3.967 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 -10.648 28.483 2.003 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 2.101 1.057 -7.384 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 3.296 -0.472 -6.432 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 20.114 -9.801 7.384 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 1.149 0.423 0.208 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 26.711 7.209 0.660 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 -3.064 1.208 2.856 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 6.653 -3.783 4.129 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 18.735 9.681 6.033 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 10.498 6.712 6.941 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 2.718 4.534 -1.169 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 -2.049 8.533 2.988 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 7.010 -1.417 3.204 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 -2.341 -3.673 -0.570 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 -2.700 -4.846 -7.776 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 18.752 2.596 22.771 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 6.918 -6.108 4.496 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 4.902 -4.230 -5.693 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 16.291 13.064 13.531 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 9.696 -1.311 2.950 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 8.720 -6.757 4.896 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 11.387 6.704 3.406 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 -6.435 6.525 -3.203 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 -0.723 6.876 0.558 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 -7.050 7.264 -1.681 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 1.992 6.426 -1.817 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 26.837 -3.440 12.319 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 -12.915 -11.143 0.477 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 1.340 -1.035 -2.534 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 2.276 -2.964 5.449 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 4.319 7.921 17.707 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 -2.101 2.600 -5.150 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 2.074 -3.280 -9.146 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 -0.419 11.945 3.593 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 4.765 3.360 5.153 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 2.624 30.056 -14.493 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 0.336 -0.668 1.510 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 1.983 0.780 -2.864 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 13.612 4.187 -5.854 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 -4.233 7.577 -4.753 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 0.638 -4.662 -5.779 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 -1.439 -2.512 -0.975 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 5.728 -14.370 18.347 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 -6.240 5.702 4.909 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 -3.729 -2.311 -6.806 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 2.510 4.382 15.538 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 -6.430 -4.350 8.744 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 -8.093 -11.495 -5.846 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 -6.819 10.835 4.769 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 -4.393 -4.052 5.329 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 -2.012 -9.911 16.619 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 12.539 -18.002 7.643 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 1.681 -5.560 3.716 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 4.893 -14.669 -13.903 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 16.863 -10.980 15.483 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 5.429 -4.333 2.764 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 14.853 -6.389 8.191 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 -0.051 -2.985 -2.274 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 -0.400 1.591 -0.723 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 0.550 -2.964 12.004 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 8.465 -5.039 -2.992 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 0.403 -2.472 0.484 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 9.975 1.980 8.438 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 -8.537 10.710 -5.426 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 -6.749 9.246 -4.840 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 3.171 7.021 -15.858 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 -2.626 21.190 -4.906 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 -3.322 -1.490 -8.131 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 -1.615 3.721 -10.269 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 -4.140 -0.903 -13.203 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 -0.037 -3.365 -0.786 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 -0.893 0.178 -8.138 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 0.546 -4.620 0.016 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 1.814 -8.526 7.122 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 -10.848 -12.618 5.585 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 -13.465 2.162 15.185 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 -2.366 1.876 -4.287 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 -11.792 -5.856 -17.429 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 -13.354 13.598 3.426 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 2.048 -2.731 0.818 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 0.310 -0.610 0.521 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 3.100 -3.706 -2.874 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 1.799 3.744 -8.214 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 6.930 -3.711 -10.453 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 -3.473 5.950 16.501 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 -1.592 4.246 -2.818 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 -6.806 10.231 -4.279 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 -12.849 -16.149 36.843 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 5.514 -0.345 2.145 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 2.286 20.526 -11.206 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 18.449 -6.882 4.978 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 -1.339 -1.221 -2.413 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 -16.164 -1.614 -2.567 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 25.434 -1.719 0.427 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 8.140 -2.108 6.420 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 8.949 -5.502 -3.399 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 19.844 -4.622 15.657 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 -3.943 -0.101 2.070 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 -15.142 -3.968 22.654 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 4.643 7.586 -22.471 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 6.113 1.156 -0.807 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 7.699 -9.807 -1.145 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 5.388 10.314 -1.503 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 2.224 4.452 -0.044 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 -6.483 -30.808 -5.672 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 6.854 10.382 -24.185 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 -2.706 -11.688 -4.858 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 4.338 33.474 4.498 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 -10.974 14.971 -5.129 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 -3.477 -5.350 -11.033 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 -4.467 3.857 1.997 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 -12.068 -12.517 3.997 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 -2.535 -4.997 -0.071 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 -13.598 29.136 19.327 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 -2.379 -10.759 2.461 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 1.461 -1.887 2.444 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 -5.298 -19.861 -17.663 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 22.326 1.171 14.627 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 -1.282 -5.369 0.557 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 0.592 18.753 -4.103 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 15.469 -10.063 -15.078 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 2.286 -2.402 -0.401 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 -7.372 5.791 -11.038 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 -10.707 -18.623 10.667 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 3.085 -7.155 3.824 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 12.324 7.210 7.621 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 10.184 -17.302 -5.437 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 0.409 1.037 0.193 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 7.269 -0.813 -4.300 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 -1.318 4.171 4.221 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 2.784 -4.649 -1.369 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 8.804 -9.736 -14.865 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 -8.751 -6.131 -7.090 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 -2.876 1.563 1.190 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 -6.385 2.926 2.030 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 2.461 4.426 -9.727 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 6.098 -1.126 -2.305 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 -3.044 3.818 -10.700 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 2.712 -3.144 -25.320 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 8.267 3.962 3.621 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 -1.309 -8.577 2.302 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 6.436 6.498 16.751 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 2.087 1.821 2.470 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 -0.949 -25.428 -15.804 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 -22.707 -12.401 -11.792 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 -0.552 -3.122 -0.773 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 -13.620 8.355 4.417 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 2.292 12.983 -19.450 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 -3.964 -1.909 6.021 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 11.541 -5.045 -5.817 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 -11.588 -5.910 -4.308 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 0.607 -0.184 7.229 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 -19.613 -0.049 -2.480 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 -2.608 -2.446 5.065 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 4.414 -4.425 0.697 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 5.954 1.814 -2.221 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 12.826 37.765 -15.042 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 1.548 -2.329 -3.270 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 7.412 -4.846 -6.871 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 5.004 -2.007 -11.931 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 -2.007 -3.631 -2.768 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 7.001 12.954 -13.241 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 -12.726 -15.229 7.346 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 -7.134 -6.641 -0.960 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 -14.121 -6.641 2.199 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 -7.538 -15.281 -21.130 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 5.342 -9.513 -1.004 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 -6.896 -20.541 1.487 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 14.345 -22.272 -10.909 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 -2.229 -1.608 3.832 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 -2.651 0.125 32.942 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 -2.493 -0.449 21.064 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 -0.410 -3.798 -8.508 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 -26.381 -5.642 10.723 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 1.051 23.900 -22.749 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 2.113 3.812 -5.462 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 -23.643 12.596 11.955 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 0.430 6.885 -9.487 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 4.744 -8.348 8.232 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 1.900 -4.399 8.246 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 0.623 -3.955 7.840 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 -3.921 8.522 7.051 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 -14.112 -22.392 19.448 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 7.792 11.317 -18.539 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 -3.207 -3.760 -2.548 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 -4.118 6.498 12.394 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 -10.463 5.409 1.565 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 2.496 2.526 -0.567 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 -12.142 9.393 -11.970 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 11.309 -18.904 2.305 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 4.186 -2.005 -3.013 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 7.725 -3.938 -0.018 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 -4.547 0.159 -21.231 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 -1.389 -5.789 1.999 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 -25.839 -14.198 11.472 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 15.924 -13.368 13.125 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 5.648 -1.700 -2.420 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 5.195 -11.884 -2.549 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 18.465 6.528 -7.302 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 4.184 -3.344 -3.261 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 -10.684 7.175 1.539 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 2.297 9.341 15.747 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 0.662 7.778 5.842 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 13.791 -10.296 18.003 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 -17.488 -0.499 -8.464 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 5.576 -0.484 7.027 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 -0.012 -15.877 13.743 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 -11.652 -11.144 -5.455 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 1.711 3.693 2.262 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 -4.526 10.796 6.147 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 1.983 -4.702 8.998 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 4.743 4.759 -0.831 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 6.547 25.520 -30.574 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 -10.746 -32.804 3.885 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 -1.797 -6.592 2.925 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 -6.903 -6.479 -6.234 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 -20.804 1.487 -17.770 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 -4.658 1.329 -8.606 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 -3.497 3.676 -4.607 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 -3.390 0.297 2.411 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 -7.963 -3.946 -1.880 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 13.730 -3.668 -2.602 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 5.797 12.549 -0.341 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 1.539 -0.828 5.751 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 5.317 -6.095 -9.881 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 2.264 -2.124 6.824 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 8.928 -1.205 -1.922 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 6.354 19.948 -2.888 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 8.281 -15.039 6.636 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 -3.479 -2.506 -1.161 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 -24.335 -19.995 18.285 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 -5.656 -12.786 3.812 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 -9.202 -0.896 -3.742 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 -8.294 7.144 -6.619 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 -6.733 4.259 -6.503 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 4.270 -5.301 1.194 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 -12.071 -12.125 3.788 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 12.400 -11.281 16.741 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 0.338 -0.489 -0.438 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 -8.583 -11.127 14.757 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 1.251 2.617 1.555 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 -0.610 -4.829 -5.434 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 -1.846 2.123 5.001 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 14.359 15.817 4.031 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 -0.404 0.886 -2.858 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 1.174 -2.627 -14.090 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 5.148 5.866 1.185 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 2.084 1.319 0.980 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 25.143 -14.344 5.761 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 15.385 2.786 5.725 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 -3.095 -0.384 -3.282 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 11.593 12.483 2.223 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 -14.283 6.005 3.348 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 9.814 -8.128 9.725 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 3.341 7.442 -18.057 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 6.305 -7.999 -12.592 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 -1.969 -5.709 3.674 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 -7.690 8.433 7.557 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 10.666 -15.791 2.895 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 3.217 -2.851 6.186 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 -8.563 3.388 8.303 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 1.750 -1.618 -4.010 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 -3.625 -1.239 -5.031 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 -6.945 1.597 4.319 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 -10.139 -7.869 -8.008 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 -0.852 7.953 -0.614 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 -7.825 10.950 -12.946 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 -6.777 -0.128 -7.542 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 4.259 -2.264 -6.535 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 6.770 3.743 -0.474 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 22.896 19.968 18.839 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 3.100 -9.719 -1.431 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 15.250 -18.731 3.464 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 -4.347 6.018 -25.683 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 -10.110 0.595 -8.581 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 3.330 9.320 -2.535 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 3.543 6.581 16.111 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 -3.385 5.977 2.563 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 6.670 4.903 -4.338 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 1.949 5.643 14.743 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 -0.821 -4.990 -3.428 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 3.408 -11.199 -1.333 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 -16.278 -7.825 5.307 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 -1.425 -6.516 4.953 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 11.109 -1.713 6.919 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 20.420 5.594 13.064 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 -0.988 -0.693 2.353 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 -11.905 0.902 4.937 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 5.212 -0.516 -4.930 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 2.954 -3.864 -0.215 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 19.631 -16.196 12.133 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 13.065 -11.611 8.384 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 6.604 3.957 1.228 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 8.650 -9.025 9.789 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 15.889 25.142 -14.670 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 -0.734 3.517 -12.128 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 -2.430 -26.929 0.513 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 19.209 13.647 11.676 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 -7.173 -4.627 -4.926 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 -0.321 -1.928 15.351 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 -10.502 -5.509 -14.709 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 -2.305 -4.699 -0.244 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 -3.488 -6.100 13.182 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 -9.885 2.815 -0.142 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 2.245 3.082 7.903 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 -3.338 2.610 0.896 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 10.367 11.503 -9.811 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 -0.819 0.428 -1.002 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 -14.894 -11.787 19.365 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 -1.987 12.322 9.585 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 -1.318 4.684 6.535 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 7.568 5.284 7.214 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 -5.187 8.684 -6.180 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 -5.386 5.858 0.580 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 4.620 18.149 -6.760 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 -24.988 -16.793 15.570 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 -2.034 -7.008 0.718 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 3.235 -5.207 30.990 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 7.148 33.052 9.354 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 -2.443 -1.442 1.243 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 7.635 7.859 5.858 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 0.432 5.857 12.533 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 -4.025 5.631 0.378 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 -9.014 0.164 0.817 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 -28.318 -28.453 18.110 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 13.303 -4.726 4.181 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 -9.773 20.826 -33.738 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 1.972 -12.288 -0.586 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 6.826 1.578 -0.573 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 7.525 -3.317 -11.801 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 12.244 -5.728 -8.003 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 -4.477 -1.752 2.965 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 7.349 -23.058 -10.855 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 -15.981 14.092 -14.116 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 -1.982 0.034 1.541 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 10.496 -4.880 0.852 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 0.343 10.075 9.311 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 4.401 0.602 2.094 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 18.534 4.451 18.426 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 5.330 3.868 -4.312 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 -4.759 2.956 -5.175 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 -3.750 21.365 19.455 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 15.884 7.144 -0.073 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 -2.112 -1.799 1.921 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 -17.508 19.053 -9.421 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 4.380 -18.599 -5.306 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 3.087 3.660 3.539 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 -5.961 1.633 2.752 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 14.618 -7.155 -5.879 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 -3.696 -4.349 -1.134 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 -14.557 -11.299 2.820 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 -40.836 -14.557 3.992 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 -5.967 2.720 -6.503 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 -6.580 6.741 -0.168 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 -0.021 6.498 -9.100 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 -3.115 1.530 -2.520 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 -1.232 -0.789 -4.437 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 -4.522 2.716 -3.154 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 -3.253 -1.010 1.003 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 26.259 -31.889 0.639 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 -10.293 26.697 37.994 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 2.377 -3.358 -1.553 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 4.001 18.354 13.614 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 -1.694 -11.043 5.011 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 -1.863 -2.808 6.088 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 0.323 2.245 6.289 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 5.670 2.355 -10.463 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 -5.289 2.022 -0.900 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 -3.410 -1.059 -6.612 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 7.971 0.298 15.235 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 -0.390 -3.109 -4.519 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 6.244 13.902 8.694 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 -2.605 -2.948 -1.421 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 -5.318 3.893 4.410 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 -15.425 0.809 25.877 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 24.109 1.113 4.300 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 -2.000 9.398 -1.501 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 -2.871 -7.154 -0.219 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 -11.831 14.236 9.815 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 -3.537 3.845 -4.576 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 -5.423 4.652 -5.160 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 -17.070 9.045 0.929 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 3.962 2.799 2.138 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 -23.563 15.305 -6.127 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 10.275 0.442 1.660 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 5.131 1.629 -1.533 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 -7.257 -1.442 -15.903 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 6.293 2.440 -0.029 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 -5.228 4.027 -3.532 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 -1.322 -0.684 -9.096 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 13.745 8.168 1.340 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 -0.220 -4.651 -1.002 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 -3.566 7.792 -1.767 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 18.843 5.217 7.117 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 6.689 -5.028 -1.065 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 6.218 -20.654 11.368 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 2.774 -11.824 2.120 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 -2.489 -4.591 3.489 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 -5.477 -2.547 7.292 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 -6.624 -1.514 8.607 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 -4.746 -3.193 -1.708 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 9.404 12.949 0.467 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 18.621 9.854 13.188 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 -0.148 -0.804 -1.722 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 0.764 -3.430 -15.038 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 9.187 -0.412 16.260 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 1.464 -6.725 -3.609 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 -12.430 -11.228 -38.802 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 -4.035 1.219 -4.484 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 3.218 1.309 2.783 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 -4.160 7.350 9.114 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 -1.791 -6.729 6.289 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 -0.672 0.992 1.055 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 -10.147 2.600 -10.312 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 -9.665 38.472 4.389 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 -1.297 2.277 0.842 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 -8.279 -8.731 9.315 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 -8.730 -8.595 5.971 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 4.661 -2.833 7.928 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 2.980 0.288 20.360 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 18.987 -9.631 -14.418 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 -14.031 4.007 -2.333 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 -7.091 7.073 -10.813 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 -9.736 -2.210 3.344 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 -1.492 -0.880 -3.814 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 20.540 7.657 -4.091 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 -8.600 -15.740 -19.067 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 0.453 -1.415 -0.826 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 3.855 11.828 -6.764 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 -8.192 -0.517 10.688 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 -0.161 -1.594 2.333 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 2.054 -18.608 -20.849 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 -0.346 -3.743 -0.341 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 5.401 -1.374 -1.902 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 11.986 -8.709 -14.155 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 5.677 -7.720 -1.891 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 -3.007 -2.521 -5.176 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 -8.558 -7.924 -3.240 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 13.124 13.997 -6.603 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 -2.226 -5.164 -0.122 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 -8.945 -20.078 -9.773 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 -7.862 -17.571 -10.883 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 -4.491 0.291 -1.511 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 -9.223 16.673 -14.988 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 7.268 -9.271 -5.955 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 3.543 6.860 -7.186 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 2.081 8.019 9.007 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 8.802 25.129 -2.107 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 1.049 -4.508 1.109 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 -24.641 19.543 -22.380 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 4.314 -7.613 3.457 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 -0.175 -3.201 1.142 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 -12.324 -25.151 7.109 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 -19.892 -16.058 0.197 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 -2.008 5.037 2.064 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 -1.521 4.848 3.867 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 -0.073 3.344 14.534 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 -9.254 -2.000 1.693 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 -12.285 6.383 3.158 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 5.106 24.968 15.247 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 -1.133 -5.973 0.174 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 19.505 9.469 -14.475 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 -13.537 -14.285 1.002 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 -0.990 -4.131 4.911 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 7.874 25.806 34.559 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 -7.473 -23.827 -6.386 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 -1.457 -3.024 -4.687 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 -8.018 5.650 5.134 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 -15.624 1.787 1.093 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 -0.448 -2.702 1.760 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 3.028 -3.609 -2.524 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 -1.373 4.263 2.826 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 -0.205 -2.532 0.370 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 -4.855 1.571 -4.752 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 -8.428 -6.479 -4.388 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 5.321 -2.992 4.314 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 5.006 -21.174 8.771 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 -13.750 17.969 -14.489 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 -0.288 -1.797 3.330 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 21.226 -3.951 11.214 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 -8.039 10.023 -13.319 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 3.239 -7.079 2.392 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 4.374 -1.501 -13.092 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 -11.126 -10.298 -3.091 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 9.038 3.236 0.399 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 21.580 6.054 15.303 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 4.573 -12.776 -4.832 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 4.995 -1.424 -0.217 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 6.560 5.331 -18.538 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 -22.200 -16.847 12.011 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 3.720 5.215 2.096 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 -2.559 6.360 4.402 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 -1.520 14.155 -7.372 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 3.944 -3.825 4.712 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 -23.764 9.446 -10.955 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 12.504 -1.997 15.614 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 -6.384 0.887 -0.650 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 -4.384 18.955 14.996 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 3.900 18.795 12.321 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 -3.689 -1.893 2.821 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 -15.299 -6.487 -2.579 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 8.030 -0.467 10.860 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 -2.486 -2.827 3.596 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 5.522 17.025 1.110 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 -25.665 -5.131 -17.967 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 1.704 3.814 -4.871 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 5.401 9.646 0.714 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 15.126 13.809 -3.744 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 3.633 3.519 5.002 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 -8.083 -4.472 20.133 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 14.100 -5.253 2.272 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 2.168 -5.747 0.926 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 -26.593 11.456 -32.430 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 15.617 6.350 5.452 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 3.496 1.093 -7.141 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 8.766 4.757 15.874 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 24.083 -4.231 -15.479 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 -6.460 1.961 3.368 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 -11.523 5.260 15.692 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 -15.762 -9.350 -1.070 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 3.111 0.193 -2.752 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 3.163 -9.620 -12.983 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 3.846 -7.190 -10.089 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 -5.008 3.915 4.840 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 6.645 1.307 10.861 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 -38.793 37.147 3.769 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 2.279 -0.676 5.826 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 -11.704 7.059 -8.311 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 4.650 1.005 10.614 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 5.189 5.865 6.822 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 -7.866 -0.926 -0.585 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 15.753 6.869 -6.554 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 4.073 5.485 0.683 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 -22.596 9.565 10.695 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 5.423 6.799 27.163 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 3.642 3.665 -6.409 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 -1.217 -5.701 4.957 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 12.187 7.954 4.236 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 1.539 -3.609 -3.998 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 3.839 14.301 -8.650 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 7.687 9.744 -12.605 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 -1.387 2.568 -8.378 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 -12.579 8.575 4.846 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 -17.005 6.823 2.143 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 -4.667 0.557 4.713 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 17.002 -6.779 11.879 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 -1.316 -12.369 17.216 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 -2.257 3.825 -2.385 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 -6.525 9.251 18.573 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 -19.661 -25.490 -12.491 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 -4.517 -0.376 -3.491 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 3.436 -5.141 -2.562 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 -12.349 2.350 -4.130 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 -7.406 -4.268 -4.466 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 32.149 2.881 -2.646 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 -17.890 23.869 -10.585 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 -4.402 -3.053 3.162 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 -9.577 -22.554 0.329 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 -25.083 -8.413 20.400 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 -6.870 -5.537 -0.552 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 -2.184 -1.960 3.635 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 -13.987 -0.947 -5.427 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 5.629 -1.134 0.386 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 8.849 12.628 -13.674 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 -14.220 -7.007 -4.059 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 2.000 -1.004 -4.812 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 -4.853 7.077 -3.434 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 6.466 6.232 -15.916 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 4.723 -3.943 -6.863 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 -0.588 -6.511 -4.241 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 -31.398 -2.913 -0.181 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 -5.215 -4.735 -1.800 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 -13.242 7.720 -9.153 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 -10.364 7.537 9.341 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 -5.741 4.315 -2.773 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 -15.839 -13.010 5.341 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 -17.749 -19.006 3.031 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 -1.104 -0.238 -7.732 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 5.432 -0.842 -7.313 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 9.412 4.499 -6.462 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 4.736 -2.957 -0.790 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 4.120 2.846 -15.187 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 4.615 -2.212 -2.658 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 -5.025 -1.345 -1.817 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 4.154 -14.941 -15.042 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 -19.048 -7.383 -15.249 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 2.441 2.141 -5.789 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 10.441 3.085 -2.698 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 11.331 0.994 3.054 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 2.231 -4.543 -3.567 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 -9.645 -0.332 -14.348 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 10.310 1.411 10.146 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 -4.233 -1.963 0.904 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 -3.093 11.028 4.587 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 3.057 19.902 -30.216 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 -1.122 3.716 -1.815 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 -4.037 16.731 -1.635 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 19.866 -8.735 3.301 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 -1.374 1.269 4.463 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 -1.897 5.329 11.649 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 25.130 8.582 -0.822 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 5.137 10.521 -3.447 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 -5.605 6.522 -4.519 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 8.368 7.290 12.393 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 -3.401 0.462 6.603 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 -0.983 -0.622 2.194 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 1.617 8.082 -21.698 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 -1.072 0.328 -2.061 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 -14.670 7.716 2.345 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 8.666 17.945 -2.432 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 -5.062 -5.161 2.176 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 -1.807 2.341 3.155 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 1.832 -10.179 0.733 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 0.365 -0.685 -0.541 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 -9.490 1.580 -6.858 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 2.311 -1.615 -8.974 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 5.264 -6.728 2.892 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 32.087 -35.178 12.135 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 -2.520 -13.447 -8.670 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 -2.691 -0.190 -6.831 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 0.088 10.381 -14.170 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 -1.151 9.542 -16.904 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 -7.235 0.397 -2.237 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 19.149 3.408 -11.354 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 -17.718 -8.880 -12.350 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 1.404 5.981 -2.219 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 -0.731 9.428 8.077 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 7.197 -0.091 -14.580 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 3.078 -2.932 -1.423 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 1.834 -2.873 -10.908 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 7.353 -11.786 3.821 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 -0.897 -2.966 -1.784 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 8.335 12.211 -5.076 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 -2.243 20.947 -6.221 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 1.222 -5.820 -1.247 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 -14.091 -16.711 29.388 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 -15.040 -3.931 -2.757 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 1.820 -2.340 -1.699 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 3.810 -1.271 3.337 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 10.653 -6.320 15.597 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 -0.937 7.056 0.944 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 -1.568 -5.580 3.177 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 -1.576 -3.440 2.912 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 -0.337 -1.637 -2.203 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 40.795 -2.318 12.139 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 -17.805 -19.924 -23.050 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 1.456 8.291 4.554 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 12.354 7.792 -3.407 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 20.706 5.969 -14.132 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 -1.576 -0.303 -4.779 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 -5.340 -7.265 9.692 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 -12.205 25.632 -5.154 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 0.052 -0.819 -0.974 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 -10.857 -22.883 -13.366 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 -6.647 -4.944 -5.673 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 -2.559 -2.404 -1.671 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 -17.935 -13.354 3.250 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 -8.591 15.341 0.890 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 -4.272 -1.951 -0.908 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 -10.857 5.366 -18.701 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 -7.424 -7.562 -17.005 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 -6.378 -4.283 -0.912 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 -23.403 -3.206 -2.050 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 -7.930 -30.280 19.203 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 -5.634 2.895 3.089 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 -13.797 -6.056 -11.763 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 8.938 0.937 2.439 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 4.349 0.031 3.665 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 7.742 0.294 -1.025 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 19.254 7.148 -11.093 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 0.135 6.317 2.049 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 -10.877 19.036 -2.513 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 -14.233 0.857 -14.812 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 0.163 -5.609 -1.344 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 -0.352 3.393 18.887 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 16.022 10.278 -11.227 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 0.328 -1.421 -0.774 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 18.922 13.884 -11.925 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 17.897 -29.243 13.764 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 -0.786 2.234 2.347 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 -3.820 6.009 0.009 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 2.404 -2.257 6.530 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 -1.162 0.544 -0.456 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 -12.781 39.947 11.729 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 -14.002 1.378 -0.914 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 -2.636 -1.506 -9.490 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 -10.825 3.243 -13.194 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 -10.927 13.050 2.731 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 0.752 0.727 -3.668 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 -18.152 -8.544 20.191 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 21.313 15.122 -22.986 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 -1.217 -3.092 2.188 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 3.922 -3.816 -0.810 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 -5.265 -3.653 -2.456 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 -0.643 8.392 -3.139 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 -12.842 8.502 13.898 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 11.939 -3.335 4.129 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 -3.245 2.384 -0.900 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 0.519 -24.342 -4.394 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 20.174 19.927 2.966 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 2.393 2.404 0.277 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 4.336 5.668 -1.467 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 0.811 -2.222 -2.271 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 1.129 5.066 -7.933 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 -4.747 -10.505 1.973 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 -21.370 -13.709 6.167 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 1.441 2.808 5.515 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 -4.293 7.129 9.174 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 -0.252 0.076 8.975 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 -3.250 4.589 5.880 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 9.891 1.348 7.855 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 -5.117 2.179 11.773 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 -1.767 -6.568 6.141 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 4.400 -9.971 6.866 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 -3.726 -4.843 13.125 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 -4.368 2.744 -5.952 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 6.348 -2.023 1.693 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 9.659 -0.183 1.198 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 5.102 -5.911 0.641 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 -2.285 -15.394 11.564 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 12.273 9.802 3.704 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 0.325 -0.237 1.236 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 -14.969 -14.932 -0.959 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 -22.994 -18.013 -24.121 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 -0.071 0.329 -2.675 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 -3.355 -3.011 -12.853 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 -20.080 -13.990 -13.404 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 -4.700 4.598 -3.310 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 4.897 14.817 -25.115 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 -22.666 -5.224 -6.069 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 4.609 -3.082 0.397 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 -5.042 -5.097 6.834 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 1.223 -4.146 1.046 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 -1.616 -2.519 -3.826 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 14.737 -7.184 -0.125 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 4.251 -7.897 -32.997 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 -3.058 -6.441 7.171 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 -20.005 7.768 -12.169 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 18.473 10.528 12.600 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 -5.165 5.420 3.994 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 -5.100 -0.105 7.055 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 -1.051 7.554 5.121 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 4.621 4.000 -2.780 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 10.715 13.051 5.576 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 -7.335 7.954 6.746 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 -0.590 -2.429 -3.827 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 -2.668 -25.414 -4.174 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 8.055 -2.147 3.616 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 -1.652 3.601 1.883 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 -8.597 -11.241 -27.497 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 -5.489 -10.240 14.927 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 0.011 -6.961 -3.727 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 3.351 3.380 -5.639 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 10.581 -6.164 -5.350 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 -2.307 2.471 -2.610 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 -11.728 4.476 -0.741 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 10.791 3.469 -25.607 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 -5.191 3.501 3.697 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 5.547 36.178 2.740 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 -0.580 -12.288 17.750 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 0.638 -0.532 -4.593 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 17.424 -13.217 30.001 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 9.099 -23.390 -10.534 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 -3.504 1.942 1.762 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 -4.822 15.979 4.635 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 5.447 2.964 5.696 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 -4.811 -4.612 0.016 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 2.860 5.827 -5.446 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 -5.167 -1.594 -0.320 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 2.238 0.621 -1.426 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 -13.306 33.157 0.627 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 -27.457 -19.805 -3.257 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 -6.446 -5.462 -3.567 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 2.822 6.475 16.742 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 20.600 4.367 1.995 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 -3.919 -0.704 2.177 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 7.869 7.050 16.884 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 -6.900 -2.491 -1.810 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 2.656 8.370 3.833 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 -6.388 5.214 -2.437 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 -2.332 24.017 3.232 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 -3.882 -2.058 -2.326 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 18.251 -12.837 -25.402 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 -10.956 10.339 -27.604 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 5.834 2.396 0.694 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 15.924 8.274 -5.684 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 3.176 3.914 11.522 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 -3.247 3.787 -4.070 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 -6.509 -17.100 5.283 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 24.940 -34.337 -9.963 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 -0.569 -0.962 -1.915 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 5.781 -8.361 -7.668 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 5.170 -0.573 -10.018 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 8.196 6.339 0.278 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 -14.707 4.604 -8.514 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 16.847 5.499 8.842 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 -2.061 -1.006 1.719 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 8.336 9.722 -5.482 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 -15.467 12.760 -2.963 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 -2.980 -1.661 1.572 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 14.419 -7.096 -14.946 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 -22.070 18.155 -5.201 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 -0.775 -1.120 5.498 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 -11.286 -23.750 -18.111 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 -2.374 13.777 5.695 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 4.155 -4.001 1.149 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 -8.875 1.275 2.308 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 -4.406 -1.707 1.729 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 2.948 -1.126 -2.349 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 -2.379 -0.275 -17.982 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 -8.522 -5.406 2.964 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 5.772 9.103 7.001 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 -11.016 2.167 6.296 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 9.747 -18.148 3.011 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 5.401 0.638 -0.541 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 -9.637 -3.557 15.438 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 2.802 -15.555 -9.963 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 -3.106 -5.439 2.141 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 -1.344 -2.503 7.705 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 -5.264 -3.785 -4.948 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 4.278 6.413 -5.835 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 6.978 7.341 -3.928 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 28.449 19.651 6.226 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 -3.450 0.724 1.078 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 4.996 17.851 -1.556 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 17.080 14.752 -2.757 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 -1.919 3.372 -4.763 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 15.276 -8.573 -20.670 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 -18.536 17.310 -17.934 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 2.011 0.480 0.408 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 0.512 12.482 -0.080 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 0.295 7.259 -24.564 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 -1.713 1.099 -3.621 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 -1.820 -12.185 11.370 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 0.629 7.986 -8.861 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 0.146 2.992 -1.837 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 -33.503 9.037 -6.347 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 7.433 -0.129 36.375 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 -0.651 1.088 -1.819 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 -35.098 -10.127 2.464 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 -0.988 22.779 -14.205 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 2.426 -6.972 -2.423 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 13.674 -19.048 -20.109 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 -21.894 -10.105 -8.390 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 2.500 -7.149 -3.811 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 3.724 -4.755 4.792 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 17.530 5.432 13.517 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 -5.778 6.099 0.527 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 -8.335 6.227 6.080 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 -0.177 11.926 -6.626 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 -6.371 -5.033 -1.865 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 -18.943 1.402 4.505 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 -10.822 -12.663 -11.194 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 3.133 3.676 0.846 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 -5.464 11.784 -0.552 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 5.331 8.419 2.823 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 1.362 3.083 -8.389 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 -9.331 -30.616 -15.839 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 10.089 9.751 -5.896 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 -4.588 -3.193 -3.905 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 -28.479 11.147 1.386 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 -4.501 -20.212 5.165 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 -6.200 7.283 7.958 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 -12.803 16.859 -27.215 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 -6.114 8.460 -2.281 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 -1.280 4.638 4.963 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 1.318 2.666 11.995 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 -1.774 5.334 2.159 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 -0.048 5.591 1.129 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 -2.675 -5.406 9.273 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 0.901 9.606 -1.041 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 -5.119 -4.081 3.241 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 -7.232 -15.864 -5.137 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 -2.883 1.013 -4.778 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 6.311 -0.224 3.898 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 12.531 -2.588 1.249 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 -1.053 4.781 7.711 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 1.116 6.427 1.524 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 0.346 12.564 10.226 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 -2.662 3.270 -3.576 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 -1.518 -0.388 -3.209 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 -8.435 6.605 -13.378 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 -11.317 -8.111 2.713 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 1.474 -5.514 -2.125 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 2.195 11.295 -11.785 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 7.015 5.391 -2.441 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 1.667 -1.208 2.297 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 -5.194 14.620 -10.868 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 23.042 -2.240 -1.580 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 3.649 7.177 -2.056 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 5.259 -18.411 24.455 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 -3.606 -20.419 11.285 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 -0.321 -1.726 -3.527 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 -0.467 28.891 4.274 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 -1.643 -5.340 -11.760 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 -4.915 -1.883 -4.352 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 -2.317 -10.997 15.502 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 -18.169 30.167 8.078 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 1.679 7.287 -0.614 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 -2.177 5.325 -7.276 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 7.561 -2.353 -28.118 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 -0.443 1.694 7.016 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 -21.048 -0.659 -11.761 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 2.690 0.035 3.737 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 4.945 4.749 -5.945 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 11.113 0.370 8.881 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 11.598 22.543 7.899 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 -2.389 1.767 3.127 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 -3.576 -1.875 7.289 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 1.281 9.645 -5.595 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 1.382 6.978 1.562 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 5.834 9.318 -8.328 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 3.178 -1.629 16.273 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 -6.931 3.206 1.736 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 9.519 -7.000 6.569 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 -6.349 -5.946 -0.490 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 9.030 1.594 -0.055 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 -3.703 18.709 0.623 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 8.539 -10.007 -3.008 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 -3.545 -0.186 2.914 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 -12.321 -2.572 9.373 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 -2.467 -2.392 -1.141 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 -1.418 -1.477 6.829 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 -15.247 -8.297 13.174 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 -17.881 -8.187 -9.530 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 2.410 -3.565 -0.432 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 20.701 10.556 -7.154 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 -9.983 17.869 -5.255 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 -1.676 -4.461 -3.277 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 -0.287 5.837 -15.299 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 6.719 -8.816 -7.114 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 4.451 5.440 5.443 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 6.359 7.780 10.846 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 -3.609 3.622 3.185 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 -1.059 2.796 -0.674 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 -11.433 9.221 -5.807 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 -3.128 16.945 11.136 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 -10.718 -7.321 -7.410 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 -1.795 3.801 7.733 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 20.439 2.533 7.862 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 -2.925 4.698 2.798 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 -7.858 7.492 0.262 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 -0.539 2.092 -2.773 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 2.574 -3.965 -0.268 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 -7.315 -2.160 9.940 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 4.775 -5.970 4.226 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 -3.626 0.443 -0.717 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 8.684 4.446 -7.156 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 3.784 4.023 -13.127 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 -2.756 -5.373 -5.313 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 0.043 -7.434 -6.233 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 -3.236 -2.734 -17.732 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 8.215 0.125 4.050 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 6.592 0.262 10.676 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 3.201 0.427 1.566 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 2.969 1.460 6.261 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 11.992 17.710 21.050 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 -2.025 -3.330 0.105 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 1.812 -7.733 -4.754 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 2.831 2.921 -9.003 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 8.294 -4.651 -9.790 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 4.891 1.159 5.122 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 -3.533 4.205 5.284 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 9.643 0.441 5.070 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 3.954 -2.154 3.379 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 -9.450 -3.585 3.399 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 9.417 -13.824 -0.219 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 11.948 4.221 -6.616 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 1.197 -4.129 -15.073 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 -10.130 29.362 -19.267 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 -8.850 0.140 1.971 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 9.501 5.815 -10.822 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 -1.905 18.281 -1.189 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 -5.263 -2.621 -4.191 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 17.677 10.008 16.497 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 -2.300 -3.414 -0.166 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 3.108 1.248 -0.420 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 -3.864 -2.549 1.438 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 -1.058 9.329 -3.702 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 -3.572 -4.901 -0.762 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 -1.239 -5.446 -19.617 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 -0.780 -3.811 -6.647 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 -4.998 1.035 -6.503 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 -15.026 -19.062 31.039 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 -9.937 17.605 -18.201 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 1.535 -1.006 -3.821 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 -4.676 -7.949 5.223 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 -5.244 15.536 -14.606 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 4.491 0.286 -0.454 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 19.405 -7.497 2.327 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 -13.820 15.474 -0.209 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 -1.346 -6.908 -1.009 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 19.685 -1.935 1.575 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 -5.884 8.621 5.430 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 0.765 5.578 -2.483 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 -5.771 21.725 -4.779 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 14.265 10.988 10.308 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 0.156 -0.207 -1.959 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 3.865 0.240 -3.349 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 -1.955 1.932 1.353 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 -2.270 9.759 -3.601 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 -9.960 7.261 -11.890 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 -9.224 1.021 0.656 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 0.137 -4.468 2.806 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 1.850 -19.042 -12.646 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 0.104 -0.831 5.397 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 3.481 3.014 -6.264 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 -3.184 -0.983 12.628 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 7.425 -5.679 8.297 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 -5.856 -0.117 -2.628 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 2.731 11.117 -7.277 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 9.479 -7.756 8.768 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 -0.283 0.340 -2.781 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 -24.693 -21.121 -17.652 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 -25.341 -2.424 9.595 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 4.999 3.977 1.073 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 11.380 4.473 -5.204 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 9.423 13.905 -11.034 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 0.452 3.080 -0.313 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 15.247 -9.671 10.246 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 -9.528 -7.169 -7.120 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 -4.362 1.114 1.028 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 -13.770 12.725 -33.550 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 -6.834 -10.965 6.099 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 -2.293 -5.755 -0.113 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 -4.916 -7.255 1.429 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 17.845 -8.271 2.433 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 0.340 -2.975 0.054 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 9.207 -0.527 -8.226 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 7.982 -2.524 5.110 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 -2.371 3.682 7.687 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 13.880 -10.331 15.495 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 -14.993 -6.867 6.902 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 -2.622 -6.103 0.059 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 -5.424 -3.003 -12.724 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 12.274 -10.626 26.879 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 0.278 2.052 2.684 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 0.610 -14.874 3.320 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 18.055 -10.114 5.587 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 -1.459 2.315 1.941 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 -10.714 -0.390 -11.973 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 13.462 12.448 -1.573 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 1.865 -1.413 -4.122 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 -19.166 -3.877 -7.728 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 25.310 -1.880 9.020 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 0.771 0.539 0.905 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 0.657 0.209 -0.206 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 -2.928 -1.534 -8.134 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 -2.401 -4.042 -6.380 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 -29.126 -18.893 -3.274 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 -2.814 8.033 -11.904 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 -1.109 -0.316 -8.076 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 -12.757 4.064 13.272 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 -19.885 -8.532 -14.664 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 2.540 7.441 -1.847 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 7.318 -4.792 -3.022 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 -5.878 -3.682 -10.788 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 -0.544 -4.384 1.364 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 4.703 34.083 10.698 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 -6.280 1.950 2.791 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 -2.265 8.584 -4.800 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 39.747 -0.358 -1.443 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 -4.983 -1.971 14.661 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 0.914 0.068 -0.933 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 -11.280 -10.994 -11.747 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 -2.507 7.314 1.944 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 6.965 -3.197 -0.832 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 -4.531 9.913 -28.190 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 8.981 -2.382 5.330 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 -4.365 -0.868 1.458 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 -11.924 -16.577 -2.031 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 6.222 -2.659 -10.269 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 2.688 3.392 0.192 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 1.344 -23.911 -12.752 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 1.598 -17.858 -10.325 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 -2.152 0.592 -0.932 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 6.065 13.973 -2.390 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 15.663 2.409 1.029 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 -5.176 1.263 -4.939 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 -26.671 17.514 17.448 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 -7.908 2.489 -10.748 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 3.793 2.254 -0.058 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 6.736 -5.807 -9.024 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 -9.030 2.807 -3.329 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 2.741 -6.600 5.289 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 2.732 -6.516 5.551 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 7.394 -15.583 2.566 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 9.257 -0.095 -0.781 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 17.757 -25.091 18.784 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 -17.273 0.439 -8.621 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 -4.544 -2.643 -3.256 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 -6.754 -9.823 -3.822 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 -9.298 -9.832 -8.007 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 -0.053 -0.979 2.319 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 6.341 18.811 -26.003 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 10.039 -14.965 -28.143 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 2.534 2.051 -2.922 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 1.275 3.864 -3.826 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 7.717 -8.747 -1.980 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 0.037 2.051 6.046 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 -2.792 6.113 16.156 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 2.042 17.407 -4.003 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 -2.459 -0.117 -4.188 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 -9.509 7.377 4.878 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 -19.723 5.084 5.150 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 2.162 -4.183 2.299 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 -3.200 0.667 3.891 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 10.264 -11.790 -1.403 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 -1.781 -5.475 -2.476 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 -11.179 -25.850 -4.726 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 7.646 4.514 8.174 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 -3.546 -2.759 -2.024 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 -7.172 11.306 -10.485 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 -28.837 -15.417 -14.164 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 0.134 -4.007 7.279 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 2.420 -23.308 -9.927 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 22.012 12.706 11.196 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 4.094 -7.031 1.697 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 1.923 -19.218 -1.384 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 11.237 -5.774 2.360 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 -3.087 -1.641 2.425 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 -1.049 -1.995 2.070 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 3.469 -32.903 -10.521 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 0.445 2.430 3.140 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 -16.321 -11.377 -0.098 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 -6.296 -9.391 7.368 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 -1.800 -0.101 -3.255 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 -22.183 -18.752 -2.888 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 16.467 -5.432 4.446 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 -0.109 -2.473 5.187 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 -2.326 -7.106 3.383 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 9.392 -10.433 14.041 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 -1.527 6.247 2.625 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 -15.909 22.844 -16.713 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 6.183 4.576 7.764 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 4.082 -3.224 -5.573 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 23.082 -6.123 -16.359 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 9.107 16.383 16.591 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 1.769 0.380 -0.815 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 -8.608 -11.025 -14.653 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 12.771 -11.477 -2.101 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 10.080 2.460 -4.289 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 10.125 21.803 4.182 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 12.938 9.605 1.540 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 0.167 -2.538 -7.268 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 13.383 -11.296 17.085 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 -21.970 14.857 -15.912 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 -0.757 -3.064 0.033 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 3.085 -3.105 0.666 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 6.570 1.328 -6.376 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 -2.655 -0.587 -1.619 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 -5.065 6.366 -10.677 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 -1.875 5.443 -2.185 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 0.952 2.664 1.820 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 -11.842 11.025 -4.197 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 3.543 -7.401 28.489 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 -4.664 -1.797 2.717 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 1.520 -9.965 4.566 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 -5.775 7.589 4.634 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 -0.560 1.961 0.515 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 3.869 19.187 -4.549 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 -9.663 -20.517 -23.083 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 -2.734 4.936 0.218 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 -8.689 36.021 15.838 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 4.778 -11.317 -27.042 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 3.027 1.248 -4.969 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 7.340 14.135 -11.510 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 -26.405 -20.248 -18.244 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 -0.800 -2.395 -3.537 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 6.083 -2.644 -9.926 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 -1.573 -1.067 -2.932 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 -9.940 2.849 0.198 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 -11.737 -2.219 -3.104 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 -9.090 -5.535 2.536 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 2.654 0.694 8.355 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 2.485 9.095 14.889 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 18.103 4.192 9.220 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 -0.363 2.654 -2.750 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 0.320 3.446 -31.293 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 12.438 11.989 -10.252 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 -2.599 0.199 -5.911 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 -8.069 -16.199 -4.341 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 3.016 -4.391 3.167 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 -2.311 -4.801 -1.863 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 -11.536 -3.018 -3.356 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 -1.679 -13.981 3.331 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 1.703 -0.130 2.211 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 6.132 2.588 -2.718 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 7.979 3.722 19.684 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 -7.118 -2.053 -1.372 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 1.963 -6.741 3.077 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 -2.724 5.033 -7.972 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 -1.265 -0.932 7.851 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 -1.216 -37.256 9.701 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 -0.081 -4.343 7.211 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 -3.912 2.062 3.901 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 2.130 -7.992 41.611 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 -17.731 18.227 3.517 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 7.366 2.860 -4.028 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 -8.376 -7.774 27.207 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 28.218 2.939 -15.967 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 -1.003 0.194 -2.487 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 1.269 -25.086 16.286 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 3.223 -21.149 -28.497 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 -1.329 -0.111 3.965 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 -29.488 -13.192 19.075 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 -1.966 19.537 8.072 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 -0.708 -0.990 1.592 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 -3.448 2.472 16.417 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 0.728 -11.683 -13.532 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 -5.185 0.143 -5.090 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 -14.278 18.899 -1.610 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 -37.182 -2.720 16.547 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 -2.919 6.458 -1.470 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 4.012 8.470 -7.994 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 26.256 -3.135 -18.533 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 -2.072 3.977 0.653 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 -17.729 -6.876 -12.575 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 1.532 11.863 5.489 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 -0.258 -10.965 2.892 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 -1.924 10.110 -14.230 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 15.777 1.363 21.870 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 -0.715 -4.096 0.746 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 1.156 1.863 5.918 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 5.420 5.455 9.176 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 5.557 5.094 -0.522 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 -4.075 28.116 -5.930 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 33.368 6.798 -9.811 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 -0.380 2.772 0.263 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 -0.714 19.599 -6.151 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 9.357 -0.070 -4.031 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 0.502 6.732 -0.717 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 2.167 4.125 18.409 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 -9.004 3.434 25.069 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 -4.579 1.786 1.969 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 12.190 -3.395 8.465 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 -5.936 15.818 -27.551 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 -2.657 0.739 0.894 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 2.652 12.723 13.678 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 -23.885 -1.492 -2.369 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 -4.602 -1.539 -8.999 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 -0.910 -13.068 -14.019 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 -8.856 -0.099 -7.142 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 0.806 -1.643 1.988 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 -4.014 23.049 -13.349 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 23.823 4.097 18.717 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 0.500 -0.372 5.369 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 28.256 5.572 -23.728 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 -22.604 20.914 29.015 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 -3.296 1.726 1.825 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 1.306 2.100 6.270 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 -5.310 1.589 0.241 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 0.708 0.948 -1.823 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 12.324 -6.038 -2.784 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 1.645 11.679 7.522 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 1.267 -2.432 3.477 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 16.718 2.837 -6.562 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 4.893 -4.096 -6.016 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 2.468 -1.572 -6.374 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 14.865 6.674 -3.367 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 8.968 -3.602 -13.264 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 -6.781 8.552 -3.583 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 -5.075 4.125 -1.998 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 -2.888 2.975 -4.772 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 -0.696 1.499 -7.153 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 -3.891 -3.767 -9.763 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 6.638 27.667 -0.224 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 5.772 -6.065 -3.486 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 12.029 -13.163 -29.770 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 -13.467 2.526 -14.038 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 7.599 2.856 0.016 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 9.885 -21.152 11.349 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 25.041 4.121 -19.218 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 8.002 0.611 -1.900 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 7.449 -11.599 -0.802 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 1.573 8.685 2.361 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 2.828 -2.815 -7.562 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 9.690 -7.439 -21.623 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 -18.322 -18.564 12.828 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 13.551 -0.963 0.226 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 5.567 -6.953 14.506 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 7.115 -11.941 -13.676 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 -1.056 -5.422 -4.695 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 -13.553 -0.759 -5.708 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 0.359 6.876 0.243 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 -3.547 5.893 1.214 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 0.323 -0.389 -0.850 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 -3.741 0.901 0.444 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 3.341 0.081 4.372 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 -4.612 0.132 6.880 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 8.555 2.515 10.582 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 -3.505 -1.326 -7.915 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 -0.365 0.183 8.590 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 -4.167 1.381 -4.323 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 -1.244 5.460 3.527 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 -1.324 6.456 2.167 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 8.891 9.759 29.180 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 3.638 -0.182 -3.621 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 -3.149 11.748 -2.910 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 2.348 -4.318 -3.725 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 4.719 0.262 -0.990 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 0.234 -9.036 8.044 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 9.956 12.245 22.075 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 -0.824 3.065 1.157 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 5.792 -8.154 -6.212 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 8.357 7.986 17.471 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 2.779 -4.391 0.835 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 1.586 -12.162 -1.576 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 6.066 16.808 0.412 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 2.655 4.701 -1.673 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 47.114 22.932 24.296 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 -19.729 -4.998 -13.980 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 4.250 -3.783 4.189 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 -3.651 4.118 15.465 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 9.410 5.047 12.429 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 -3.351 3.566 -4.019 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 4.206 -9.166 1.427 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 -3.955 -3.014 -3.130 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 0.719 1.019 1.886 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 16.190 -8.507 5.179 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 28.528 -15.801 8.945 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 3.518 2.194 -2.289 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 -7.918 4.293 -4.726 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 -15.631 6.496 -9.322 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 -1.249 -0.918 2.892 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 -7.109 17.439 -5.989 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 4.237 -16.829 19.719 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 2.942 0.090 -3.686 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 10.448 -6.098 -2.309 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 -0.986 0.575 -8.384 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 -2.011 1.418 -0.646 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 0.314 11.759 -10.481 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 -16.511 -1.137 -2.505 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 -3.181 2.169 -2.866 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 -6.021 0.253 -6.287 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 -6.509 -3.718 -4.090 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 -1.217 0.983 -2.814 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 2.207 -24.898 5.565 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 11.744 -7.548 2.999 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 -2.913 1.248 0.285 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 -11.031 4.968 -0.143 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 6.810 -0.998 13.951 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 4.724 1.201 2.040 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 -12.193 26.829 -18.553 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 18.316 -22.502 10.691 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 -0.263 2.950 5.525 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 16.263 10.258 5.245 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 21.540 -7.931 -17.385 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 4.559 -3.505 -2.467 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 -6.268 14.110 9.726 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 7.213 -3.727 -2.742 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 2.934 3.914 1.917 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 5.495 -17.013 3.128 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 -2.042 -16.601 -10.480 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 -2.715 -0.147 -0.449 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 -9.383 -17.518 12.161 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 7.336 -18.085 -8.583 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 1.705 -5.508 2.193 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 4.649 -6.728 4.882 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 22.421 -4.693 2.030 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 -0.598 0.255 -6.335 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 -0.526 16.217 18.719 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 -0.369 -5.331 -15.463 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 -7.598 7.603 -4.969 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 -11.145 -2.761 -13.261 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 -6.764 15.673 -5.564 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 -3.356 0.264 -4.118 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 8.963 -11.919 -10.840 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 -26.105 8.541 13.087 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 -2.626 0.860 -1.202 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 0.092 15.961 2.588 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 3.015 2.436 1.013 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 -2.772 -2.290 -2.639 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 -4.158 -3.345 -2.280 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 -5.652 -2.704 -0.228 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 0.279 5.348 1.720 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 -1.114 3.111 3.645 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 0.582 2.865 2.196 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 2.922 -5.196 0.185 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 7.250 -7.432 -7.859 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 12.718 -15.689 -0.802 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 -4.244 -1.175 -0.320 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 6.750 -5.183 -0.267 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 -10.419 -11.150 -1.810 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 -3.038 -3.942 -0.619 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 -4.754 1.863 5.977 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 5.830 -2.046 -1.175 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 -4.341 -0.252 1.856 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 21.728 0.956 -11.912 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 0.672 -8.381 18.819 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 3.664 1.868 -4.118 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 -11.619 -12.123 15.923 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 2.128 1.982 -22.632 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 1.028 3.210 -2.161 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 5.076 -6.716 -1.732 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 0.467 -11.276 6.996 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 4.330 4.152 -9.856 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 -19.712 6.027 6.085 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 25.391 12.048 -6.154 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 -0.175 4.603 -6.555 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 -31.200 13.651 11.913 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 37.620 -7.591 -23.086 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 -0.480 0.457 -2.714 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 12.762 10.639 -0.735 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 7.854 6.880 -1.203 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 -1.974 -6.354 0.339 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 -17.876 -29.242 -8.705 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 0.150 -17.872 17.185 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 -0.327 -1.286 -9.864 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 -9.974 13.960 -17.718 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 14.921 -0.817 6.758 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 -3.302 -1.250 -1.051 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 -25.721 -7.010 4.733 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 13.947 -9.920 0.984 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 -0.413 -1.070 4.514 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 28.147 3.293 1.767 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 16.285 -2.962 2.273 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 7.328 -0.214 -9.908 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 -1.411 -12.724 4.534 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 -8.009 9.683 -17.909 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 0.564 0.117 -3.138 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 12.201 26.437 -9.147 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 0.911 13.787 -2.054 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 -4.163 2.233 -2.979 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 4.493 1.704 20.810 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 15.818 18.068 -13.128 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 3.976 -3.772 0.704 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 -5.288 8.252 6.123 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 -3.040 17.220 -16.809 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 -1.675 3.806 -2.652 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 -21.233 19.467 1.013 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 2.155 0.729 1.793 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 -2.207 1.999 -0.160 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 -7.010 14.284 -4.346 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 -20.554 -14.013 -11.294 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 2.554 7.645 4.185 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 -0.595 2.221 2.808 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 6.706 7.504 -0.717 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 1.111 2.220 2.068 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 -4.262 -5.274 9.241 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 -0.677 6.631 -2.362 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 1.552 2.788 3.001 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 8.404 -1.457 10.159 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 1.435 2.314 8.316 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 -8.219 -1.165 5.781 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 5.776 -4.432 26.548 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 23.665 -19.424 -10.206 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 2.095 -5.203 0.710 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 0.694 -10.905 -6.878 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 11.767 -13.266 -11.859 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 1.087 -3.095 0.970 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 9.816 -1.947 -4.883 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 9.211 -12.774 15.637 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 -1.509 0.798 6.974 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 -9.691 -6.583 5.419 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 -2.219 7.666 -3.035 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 -4.094 6.779 2.366 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 -7.920 7.009 4.403 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 -12.020 11.833 9.248 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 2.639 3.741 4.887 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 13.695 7.524 18.772 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 -0.832 10.194 10.491 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 2.801 -2.258 -3.365 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 18.886 -0.415 24.394 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 -24.772 5.650 -9.677 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 -5.950 -2.853 -2.950 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 2.233 -6.703 -3.413 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 -1.034 -2.804 2.005 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 -4.113 -2.137 -7.867 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 21.941 -3.319 -24.039 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 5.243 -12.733 -28.487 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 1.872 -2.882 4.446 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 14.280 -5.606 -2.353 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 4.622 -16.595 4.030 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 -4.339 7.896 -3.108 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 19.382 3.915 -3.992 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 -13.139 2.840 -29.615 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 -1.561 -2.087 0.211 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 1.885 -12.464 -3.216 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 -3.973 5.463 2.046 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 5.369 0.274 -4.535 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 27.524 -28.392 18.871 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 11.116 10.412 8.713 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 -1.167 -0.795 -2.735 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 -16.169 -2.742 -5.759 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 -14.218 16.576 -4.734 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 4.679 -1.980 -5.333 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 8.658 1.852 3.188 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 3.143 -4.943 -14.793 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 3.208 -6.794 2.978 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 9.091 -4.197 1.107 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 -12.871 -20.812 -12.806 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 0.812 -5.629 -3.594 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 0.111 -6.649 -2.068 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 -0.681 -6.918 -2.206 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 1.150 -0.874 -0.131 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 -8.137 7.075 13.998 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 16.182 -22.919 -33.296 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 -6.156 1.536 4.596 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 -4.272 7.610 0.495 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 0.538 -0.402 13.209 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 8.228 -1.393 -6.762 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 23.430 1.798 -12.665 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 15.216 -1.438 -10.904 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 0.367 0.318 -2.058 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 8.137 -5.679 3.591 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 10.044 -8.324 5.395 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 -5.386 -1.981 2.278 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 -16.940 8.803 12.412 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 10.500 -0.628 36.463 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 -5.073 3.058 2.013 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 -4.560 -26.403 13.341 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 25.484 21.996 11.832 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 1.902 -3.884 -7.020 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 4.307 -4.918 -6.136 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 5.623 -3.597 -10.193 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 6.370 4.911 1.807 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 -11.127 18.534 19.150 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 5.122 -12.326 9.409 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 2.843 -4.374 -3.150 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 -8.888 8.794 -8.955 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 -8.634 -19.954 -7.221 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 0.982 -3.438 2.225 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 -3.153 2.024 3.494 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 -3.918 2.168 -20.708 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 -3.692 1.496 -5.101 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 10.309 -5.920 -9.542 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 -3.325 -5.003 -5.767 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 -7.601 2.150 1.533 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 -16.744 1.870 8.696 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 -0.669 -0.911 1.260 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 2.182 0.818 -4.120 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 -5.099 4.705 -16.219 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 -22.788 -20.720 -18.485 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 -0.116 0.606 -8.149 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 9.411 -15.337 -20.325 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 8.684 11.803 -23.760 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 -8.840 -0.593 7.070 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 -17.661 4.809 12.449 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 -5.017 4.300 1.321 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 7.593 -3.766 -0.189 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 8.736 -9.455 -1.539 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 -13.517 -41.154 2.048 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 2.893 1.044 0.535 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 9.020 3.611 7.542 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 -1.629 -3.778 4.829 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 1.566 -9.061 -1.929 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 -7.858 23.638 -5.053 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 -3.403 -7.528 -4.075 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 -5.604 1.482 -1.614 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 8.267 13.234 -11.820 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 5.169 15.557 -14.863 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 3.621 -3.763 -5.432 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 -5.069 -6.722 -20.414 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 1.391 8.619 7.061 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 2.147 -4.005 -1.543 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 0.685 7.765 8.716 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 1.974 -18.238 5.363 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 -3.241 -3.561 -2.611 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 -22.189 43.102 3.680 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 1.286 -0.566 13.568 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 -6.861 -1.393 3.633 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 -10.769 -10.938 20.104 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 -13.509 -8.296 6.882 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 2.070 -2.232 -0.265 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 10.622 2.257 20.168 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 11.555 -2.441 -16.056 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 0.899 -2.666 0.492 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 5.776 -2.737 6.292 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 0.605 0.771 -0.022 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 0.009 -1.679 2.848 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 22.736 3.545 3.331 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 -20.976 -10.727 -3.272 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 -6.290 -0.833 -1.383 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 14.337 6.400 -14.874 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 10.640 -6.439 16.616 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 -0.526 3.118 4.554 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 -0.660 3.003 4.902 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 3.611 11.864 -3.589 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 -0.619 -9.494 -5.080 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 0.487 14.621 -6.866 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 -13.805 -10.847 12.844 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 3.473 3.553 -3.642 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 3.504 -13.642 0.441 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 3.043 15.281 -6.186 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 -1.925 5.516 2.890 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 -2.188 4.296 13.021 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 -12.622 5.991 5.279 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 0.445 1.122 3.140 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 4.068 -2.854 -2.507 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 4.908 12.323 17.316 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 -1.031 4.113 4.733 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 1.832 15.991 -7.474 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 6.943 4.675 7.627 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 -0.864 6.956 -4.563 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 26.953 -10.281 -1.185 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 -21.294 -9.712 13.454 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 0.614 2.120 3.220 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 8.777 -6.195 2.141 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 18.647 1.972 2.918 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 0.011 4.299 -1.589 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 7.360 -1.872 -5.453 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 -0.243 -15.754 14.649 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 3.699 -2.011 -7.705 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 7.698 10.741 -10.448 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 -2.425 -9.539 -7.466 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 -9.400 -1.572 -2.762 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 -18.906 -4.331 -19.517 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 -14.078 17.993 -6.491 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 3.607 3.085 1.694 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 9.714 -14.463 2.242 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 12.973 10.274 14.817 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 6.264 -3.581 -9.829 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 -12.907 15.271 3.212 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 13.199 5.732 -15.146 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 -0.296 0.754 2.056 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 -11.361 38.999 0.976 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 -24.919 -3.698 4.505 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 -6.450 -7.724 -1.579 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 2.117 8.212 6.627 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 -26.954 -23.262 -14.074 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 2.989 4.378 -0.081 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 42.534 19.703 19.790 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 -1.598 -1.769 2.860 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 -3.391 4.147 0.319 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 -0.083 -7.799 11.729 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 2.947 -5.375 -10.974 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 -3.301 -0.478 -2.749 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 15.249 -0.916 -3.831 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 31.379 29.645 -0.200 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 4.279 0.767 4.878 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 8.792 0.041 -2.892 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 -6.360 -0.498 18.370 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 8.273 4.082 5.520 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 7.664 -6.187 13.376 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 15.886 12.644 14.571 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 -7.222 1.526 -0.939 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 -14.258 7.215 -1.197 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 2.088 -7.480 -0.795 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 -0.036 1.754 -2.232 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 4.102 13.714 12.037 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 -1.293 1.867 -25.378 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 -5.334 -1.935 2.257 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 5.431 14.714 5.002 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 -8.504 -2.147 -22.875 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 -0.359 1.913 3.551 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 -0.355 -17.758 2.226 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 -15.363 -0.579 -14.957 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 -3.085 2.115 6.546 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 -4.324 10.426 -26.041 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 -3.425 7.060 -6.344 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 -3.344 3.764 1.025 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 -5.471 18.636 13.204 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 13.603 -9.748 16.674 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 -2.670 -3.092 1.334 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 -26.286 14.960 18.606 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 -18.545 16.295 8.133 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 -0.261 2.543 -2.727 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 2.184 -12.675 1.524 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 5.482 -7.478 -5.072 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 -7.066 -2.209 -2.148 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 -0.233 -8.127 9.319 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 -0.348 11.330 4.006 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 -2.089 -2.964 -2.995 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 1.997 -13.520 -16.180 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 -13.050 -9.489 -28.401 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 0.166 -4.667 1.729 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 7.400 -5.260 6.969 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 2.113 -6.850 -8.400 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 -0.315 4.341 -0.013 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 -4.222 -1.324 -2.981 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 -23.899 -5.131 1.177 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 4.038 -0.172 3.556 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 5.024 6.014 4.175 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 0.888 -8.611 -12.847 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 -1.623 -4.636 -1.829 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 -2.565 43.343 -10.348 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 24.720 1.421 -10.078 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 5.412 -0.154 -5.875 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 -5.162 -18.455 -2.521 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 -2.435 -7.581 -0.424 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 0.491 -7.282 -1.541 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 33.289 1.654 4.136 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 -19.841 -6.988 8.895 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 0.174 1.935 0.375 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 13.543 -4.527 5.300 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 7.946 -2.312 4.342 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 2.281 -3.522 1.392 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 -0.763 4.069 -14.041 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 21.132 1.498 5.040 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 7.811 2.613 2.210 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 9.936 1.376 9.994 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 -4.226 10.222 -10.443 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 9.702 -7.157 1.940 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 -6.530 2.310 0.695 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 -2.883 -25.615 -1.390 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 0.559 2.851 1.430 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 5.008 3.636 2.483 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 2.782 -0.514 10.490 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 0.976 -0.617 -0.301 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 -11.321 2.110 10.060 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 -2.393 21.545 -12.167 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 0.269 -2.793 -4.617 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 -32.175 7.011 11.285 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 5.277 -6.415 11.912 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 0.849 3.476 -6.048 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 9.905 -0.274 -4.144 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 -7.407 -11.140 -17.730 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 -1.768 -4.954 -2.699 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 -8.405 -7.201 0.558 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 -3.724 -8.958 -2.170 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 0.570 6.098 -1.377 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 4.019 -9.813 -20.739 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 3.325 -13.580 -18.958 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 -3.431 0.918 -0.214 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 -8.095 -0.341 -5.137 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 4.917 12.794 -3.550 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 5.534 -8.783 -6.667 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 -4.417 2.934 19.322 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 11.058 -15.841 -22.636 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 3.313 -2.718 7.721 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 -3.759 -3.632 9.544 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 5.229 -2.228 3.243 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 -1.368 -1.433 -0.120 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 12.716 -7.585 9.990 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 -2.177 -12.732 -14.373 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 -5.785 -2.170 -1.669 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 -23.925 -34.079 5.410 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 14.033 17.682 3.473 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 -0.213 -8.340 -2.090 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 -4.945 -17.082 -1.965 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 10.168 8.473 -3.839 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 5.214 -1.906 5.108 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 -12.031 -26.626 -7.337 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 5.916 0.990 -10.972 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 -0.974 -0.040 2.003 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 -5.332 -26.847 1.991 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 3.531 3.150 -23.115 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 -7.562 0.365 2.589 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 -6.214 24.972 0.949 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 -6.871 -10.754 3.139 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 6.684 2.922 1.649 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 -4.893 -8.254 11.628 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 -18.533 -8.617 -34.310 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 -0.000 -3.817 -0.475 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 -8.616 -14.085 1.189 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 -11.416 -2.711 3.505 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 0.958 -2.365 6.712 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 9.020 7.176 6.248 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 11.320 8.693 6.311 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 -1.020 -5.603 8.034 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 -0.090 -4.138 22.210 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 -12.793 -14.298 4.599 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 0.700 -0.862 0.283 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 -5.796 1.129 8.278 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 0.980 -2.602 -9.464 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 1.861 4.657 -0.321 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 13.149 7.831 -2.290 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 -18.727 -13.719 -0.551 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 -1.728 -3.489 -4.134 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 -1.024 8.497 4.320 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 12.040 -2.862 -0.087 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 -1.875 -1.440 -5.107 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 -2.121 -6.475 0.905 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 -0.693 3.203 -13.189 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 3.373 -0.742 -3.496 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 -7.700 6.371 -7.828 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 -9.347 16.733 9.571 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 -10.357 -5.105 -4.556 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 5.816 10.424 29.230 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 -5.094 -2.871 5.945 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 -2.228 -0.392 5.450 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 -2.492 6.766 11.386 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 -2.044 -10.524 4.167 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 3.225 -1.662 -1.450 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 -2.881 24.489 12.690 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 5.099 -21.080 9.689 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 8.408 -2.363 1.873 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 1.495 -4.699 7.585 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 17.779 1.159 -6.640 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 -0.623 -2.486 -1.876 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 -1.136 12.887 -39.307 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 -1.671 -10.796 5.758 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 -0.693 4.914 -3.036 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 -1.733 -1.795 -3.512 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 -6.512 7.150 -6.620 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 -0.505 -6.170 7.084 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 -3.303 -14.733 -1.566 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 -0.983 -8.394 6.384 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 5.288 -1.293 -4.797 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 -4.949 12.593 -17.097 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 -11.246 -4.710 -16.198 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 -5.682 -1.598 3.304 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 28.292 -14.112 -15.001 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 -3.407 -18.203 40.239 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 3.924 -5.252 -1.110 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 5.668 -10.508 8.276 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 -7.148 -1.734 -1.285 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 -2.200 -4.906 3.115 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 -4.484 -9.052 -6.045 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 15.258 -20.254 -29.355 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 7.248 3.263 5.893 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 -0.755 8.315 2.250 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 11.332 5.395 -1.578 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 7.064 4.255 -1.572 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 -19.153 6.909 4.000 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 5.631 4.117 0.717 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 0.228 0.368 2.492 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 1.573 7.612 16.011 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 -18.941 10.578 -3.049 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 1.447 -3.772 -0.646 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 1.625 -3.420 -5.874 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 11.528 -16.607 22.262 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 -2.664 -7.228 2.158 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 5.200 -13.416 -2.554 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 24.690 -5.443 8.908 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 -1.623 -3.144 7.357 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 6.555 -29.413 -5.467 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 0.448 -14.792 3.676 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 -3.157 -0.928 -0.116 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 -0.430 13.255 -6.252 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 -4.711 -10.539 -13.334 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 0.166 -5.320 5.526 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 0.039 1.507 0.527 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 -11.371 -13.365 10.510 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 3.020 -0.371 -1.472 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 -0.577 -4.440 25.923 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 3.810 0.766 -6.690 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 3.117 -0.377 -6.847 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 -8.640 0.942 -15.773 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 13.129 -4.301 -11.367 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 2.556 -0.209 4.909 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 7.050 5.677 -29.700 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 2.127 0.935 13.367 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 7.410 0.167 1.301 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 8.390 -9.790 -12.042 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 12.651 15.389 -1.909 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 -0.089 1.662 0.798 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 3.171 -7.878 -5.497 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 -6.286 5.427 4.084 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 -6.295 -3.284 4.184 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 -17.138 5.390 -12.905 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 2.262 14.003 -20.512 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 1.318 1.500 -5.928 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 -7.491 -5.986 8.206 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 17.386 -1.702 -2.178 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 -1.091 4.138 -5.650 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 3.437 13.461 -13.803 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 -1.370 4.028 4.242 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 -4.479 -6.146 0.354 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 3.726 -2.033 1.475 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 -1.862 1.276 -0.491 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 0.758 2.030 -1.043 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 -13.042 -2.480 0.839 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 -4.639 21.797 -2.988 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 -7.726 -5.546 -7.687 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 -0.351 11.637 -6.589 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 -20.600 -5.849 23.054 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 -1.348 -4.203 7.259 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 -7.672 25.416 5.894 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 6.196 -11.200 -22.497 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 0.730 -6.653 0.351 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 14.604 -7.078 -10.743 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 1.106 -12.615 12.223 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 0.176 3.377 4.892 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 -8.638 1.690 14.346 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 1.596 -16.452 23.518 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 -7.710 -5.480 -1.553 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 -13.656 -5.529 9.693 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 -4.097 -1.685 1.462 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 -2.191 1.575 1.184 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 4.483 -3.112 -27.131 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 -14.555 -7.177 19.444 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 -3.821 -5.551 -5.621 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 2.067 -14.301 1.749 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 -10.594 5.549 -18.642 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 2.605 -5.400 1.379 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 -10.421 0.084 12.250 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 0.283 -3.764 3.731 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 -0.542 -3.832 4.611 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 -22.221 -19.023 -7.034 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 14.567 14.823 -9.001 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 -2.982 3.168 -10.658 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 -7.819 -6.423 -5.269 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 10.515 8.533 -0.103 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 0.537 -4.562 9.417 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 4.384 4.296 5.076 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 4.660 -8.155 12.910 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 1.401 2.051 2.938 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 -14.562 -9.016 7.449 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 -5.141 16.126 -11.227 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 -5.981 0.012 -4.859 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 -5.324 -5.011 -4.295 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 3.753 -6.546 -6.114 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 9.238 -5.374 -3.188 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 13.508 3.049 11.656 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 -9.733 -4.892 -5.222 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 5.727 -5.877 -1.708 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 0.604 -9.346 5.951 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 -24.603 -14.506 9.566 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 -1.731 0.574 1.966 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 6.329 4.924 0.910 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 0.521 -5.275 8.705 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 -1.530 9.190 -4.921 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 3.034 -3.244 15.735 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 -0.551 7.919 -4.781 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 -1.998 -0.631 0.472 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 -4.798 6.500 17.753 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 -6.156 1.728 11.842 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 -5.611 3.941 0.960 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 1.169 1.771 -3.746 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 -6.341 -0.861 -3.903 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 3.643 1.794 -6.744 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 11.192 -0.825 0.204 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 -5.109 1.400 -2.252 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 -0.388 0.620 -5.750 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 2.203 -12.200 -15.893 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 7.118 15.870 11.812 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 3.213 1.094 0.621 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 3.855 -3.089 -0.341 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 2.443 -0.704 -0.095 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 -2.817 -1.193 -4.927 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 14.516 -11.488 -14.920 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 -3.580 -5.562 20.394 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 -0.088 5.612 1.148 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 11.858 -20.050 1.368 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 -17.619 4.334 -21.942 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 5.216 0.627 -4.513 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 4.288 -5.267 -0.739 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 6.663 1.393 -5.828 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 -3.008 2.114 1.147 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 -0.850 41.241 -0.263 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 -7.359 15.032 0.112 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 2.307 -3.805 -2.594 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 -1.272 4.712 14.476 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 11.742 3.208 -0.976 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 -2.537 -5.790 2.162 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 -8.121 -6.120 18.878 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 -15.988 -14.349 22.457 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 3.584 -5.928 4.501 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 5.788 -8.717 7.392 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 3.746 4.752 2.748 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 -3.521 2.371 -2.342 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 12.887 1.329 10.171 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 13.995 15.371 17.352 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 -4.334 4.015 1.795 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 0.033 -19.761 -8.930 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 3.264 5.016 -10.661 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 3.580 -0.153 -3.654 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 -4.799 10.473 -7.535 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 7.110 -5.876 -3.026 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 4.202 1.620 1.614 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 -19.766 -17.603 5.716 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 11.374 6.121 -23.282 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 -3.686 0.854 1.091 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 0.565 4.268 7.797 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 -1.873 -4.308 5.266 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 -8.276 5.028 -0.565 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 -2.487 2.313 -3.460 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 -13.946 8.925 2.169 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 4.919 -0.867 -3.058 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 8.312 -10.341 3.158 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 1.620 -1.929 0.064 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 -1.022 0.876 3.312 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 -0.227 8.854 4.772 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 -2.616 -2.090 9.581 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 -2.926 1.959 -3.282 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 8.458 16.536 -3.088 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 4.231 11.536 -3.319 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 -6.395 5.419 1.889 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 -7.560 -22.147 11.098 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 5.694 11.519 10.346 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 2.506 3.949 -3.782 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 -1.119 -8.610 -1.753 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 8.015 25.658 -3.418 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 4.265 7.108 -2.145 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 0.417 -1.385 1.185 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 -1.159 -21.137 10.544 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 -1.221 -5.826 2.020 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 -2.636 -14.555 16.812 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 -3.464 -2.017 -20.191 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 -3.531 3.118 1.601 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 19.015 -13.929 4.403 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 -2.440 3.429 0.315 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 0.940 1.396 1.269 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 -10.125 11.263 18.112 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 -11.609 -8.228 -19.098 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 1.210 -3.473 0.308 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 -4.270 10.334 -1.524 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 17.126 -7.641 10.273 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 -3.704 5.585 -3.523 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 14.201 -2.236 -9.629 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 11.450 -5.202 0.451 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 5.338 -7.005 -4.665 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 7.727 -1.569 19.367 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 10.302 -14.796 -20.160 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 -3.135 -2.693 3.811 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 8.997 10.228 -20.735 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 -5.219 -8.927 0.378 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 6.074 -1.352 3.126 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 -11.840 -2.471 -10.076 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 10.233 5.504 -11.935 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 1.889 -2.917 1.006 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 2.871 2.941 -4.485 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 11.827 -3.018 4.614 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 -3.157 -0.528 -1.340 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 -2.319 -5.809 -1.459 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 -1.865 4.342 0.407 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 -3.795 3.144 0.217 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 -7.657 3.340 -0.189 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 -10.800 -12.479 29.456 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 -7.845 0.415 10.545 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 -10.002 6.555 5.299 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 -12.449 -27.660 4.310 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 -0.683 -2.731 3.100 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 -9.196 -3.216 -1.466 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 9.254 -2.855 8.001 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 5.332 3.268 -0.786 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 -15.999 -23.530 8.028 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 -4.859 -4.999 -0.281 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 -4.805 -4.239 1.553 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 -5.443 -6.635 2.585 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 -9.369 -3.171 3.418 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 -2.209 -3.603 -8.581 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 -23.558 -7.837 3.821 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 -6.911 13.231 11.108 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 2.887 2.530 1.046 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 15.577 -17.834 -10.257 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 -21.336 -7.770 9.264 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 2.876 8.938 -6.332 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 8.177 -2.736 -2.149 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 8.968 18.287 -11.022 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 -1.501 -0.714 -1.472 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 -29.489 45.097 2.912 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 -16.226 8.083 -2.076 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 -9.385 -3.399 -4.577 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 -11.159 4.736 -4.531 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 -29.398 14.771 6.069 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 2.413 -1.964 1.483 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 35.058 -11.588 2.386 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 7.713 50.049 10.080 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 4.772 -6.866 3.223 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 17.448 6.688 18.223 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 -12.703 -3.617 2.642 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 -1.120 2.804 -0.683 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 -6.348 0.661 5.783 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 -13.360 7.059 -22.131 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 8.385 -7.341 0.975 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 7.678 -3.026 0.897 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 -3.487 10.454 14.361 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 0.454 4.271 8.680 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 7.761 -1.827 9.900 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 3.054 -0.390 12.609 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 -2.378 -4.209 -5.957 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 -2.484 -19.010 13.138 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 4.984 13.015 -15.696 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 0.624 -1.521 -0.824 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 19.146 -2.600 3.054 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 -43.683 2.468 -9.094 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 -4.713 7.700 -1.794 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 -3.506 11.277 -5.628 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 -0.761 -2.672 -25.438 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 5.687 -0.526 1.471 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 -11.850 1.511 5.386 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 -1.752 8.882 -10.615 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 -5.317 -0.975 -2.466 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 -14.914 22.207 -8.118 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 7.276 -4.246 -13.702 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 1.191 4.528 2.996 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 4.003 6.436 -0.712 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 -12.461 17.474 -5.215 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 -1.070 2.860 0.663 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 -3.449 34.215 14.847 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 17.272 -8.518 16.262 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 -1.264 -0.083 -1.096 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 -11.500 5.381 1.754 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 -0.769 11.238 3.305 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 -3.166 -0.977 0.459 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 0.687 5.841 -0.182 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 -5.058 -4.850 3.334 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 -3.909 2.988 1.734 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 -7.995 11.013 -9.764 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 -10.720 22.056 -29.288 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 0.197 2.777 -8.411 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 13.986 3.085 26.198 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 8.997 3.120 13.802 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 0.479 2.495 4.237 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 -14.168 9.649 14.931 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 -0.866 1.356 6.008 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 0.496 2.760 3.824 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 3.388 16.292 -9.743 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 -8.651 -17.438 -8.147 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 0.168 -7.050 1.883 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 5.463 -5.601 8.224 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 1.482 -16.299 10.050 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 -2.958 4.695 5.215 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 4.656 24.662 9.676 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 -22.702 -1.991 1.663 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 8.598 -0.450 -3.327 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 14.203 -4.211 -16.211 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 11.245 -0.114 3.603 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 -4.797 -4.970 1.660 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 -2.816 -12.712 -10.049 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 5.596 6.805 -1.455 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 -1.335 5.813 1.461 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 2.744 -4.912 21.947 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 0.990 -4.897 -9.432 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 -4.156 6.588 -3.638 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 16.525 -8.532 -14.508 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 -1.176 -4.476 6.343 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 8.261 -3.364 -2.441 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 10.742 -7.026 8.042 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 13.850 6.958 -3.071 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 6.710 5.572 1.031 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 -4.527 1.135 1.230 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 26.099 10.874 -5.691 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 0.705 -5.254 -2.991 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 -0.931 -9.029 -2.614 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 -1.444 -7.230 -4.060 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 -1.896 -3.610 -5.906 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 8.204 -14.401 -17.451 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 -13.244 -15.858 29.141 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 -1.535 1.548 -0.810 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 -6.907 -12.131 13.781 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 -16.316 1.079 2.829 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 5.898 8.523 -0.854 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 -0.396 -4.323 -6.578 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 12.339 14.010 6.064 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 -6.703 0.565 1.622 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 -3.600 -6.545 12.979 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 -10.214 9.893 8.611 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 2.511 6.197 -0.802 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 3.914 6.804 -4.979 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 0.905 -13.952 10.163 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 4.102 -7.017 0.293 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 14.050 14.078 -6.967 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 -40.246 -35.528 15.276 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 -3.131 1.531 -1.903 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 -3.346 1.176 -0.489 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 -3.865 2.021 -0.262 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 1.091 -5.220 -3.664 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 -22.885 -19.675 -8.541 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 -15.319 -4.170 -2.336 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 -5.116 -4.362 7.186 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 5.395 10.031 8.021 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 -8.179 2.097 15.584 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 13.834 3.765 -0.856 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 4.846 3.265 -2.594 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 12.422 -0.693 0.742 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 2.221 8.113 2.031 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 2.932 7.163 3.792 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 4.535 11.625 -9.357 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 5.285 0.200 0.551 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 9.876 -5.860 17.392 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 20.187 -13.647 14.503 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 6.465 3.656 -2.521 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 13.637 -6.140 4.811 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 18.999 -15.136 8.110 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 -7.941 1.180 -5.389 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 4.342 17.500 -5.163 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 0.495 9.848 -24.672 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 5.258 7.526 9.087 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 13.994 28.786 -4.479 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 18.613 -3.490 -13.810 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 4.521 1.917 -0.299 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 -6.273 1.396 4.313 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 -2.246 -2.488 -8.427 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 7.175 -4.042 4.805 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 10.102 -25.416 29.478 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 -5.853 1.238 6.201 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 -6.645 -0.160 -3.169 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 9.382 -9.286 29.499 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 -3.697 12.697 11.753 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 -3.380 -1.317 0.689 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 -14.831 5.381 1.844 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 1.300 4.252 9.570 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 1.632 -2.573 -0.175 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 2.689 5.401 9.904 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 13.144 -3.570 -5.435 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 6.036 -2.400 4.765 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 -9.562 -12.087 6.538 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 3.310 9.002 -8.490 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 -8.158 -7.065 -5.803 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 -5.773 29.451 -14.480 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 31.548 -31.876 5.946 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 2.029 -2.546 -3.532 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 2.066 30.387 -21.935 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 -3.793 2.270 -14.830 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 -2.008 0.413 3.979 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 23.008 -7.409 5.953 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 -9.151 4.502 0.714 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 -1.623 -2.065 -1.448 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 2.074 11.858 0.130 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 -3.609 18.062 -0.722 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 1.614 2.629 -1.893 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 4.639 -6.229 20.426 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 10.489 12.476 -33.395 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 -6.031 -3.969 3.904 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 10.501 -10.632 14.648 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 -6.227 14.192 -5.571 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 -6.167 -2.805 3.086 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 -3.926 -26.911 -2.546 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 -2.548 14.897 -27.276 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 4.381 -0.838 -2.596 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 3.790 -4.613 9.007 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 -6.427 31.287 -4.297 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 -1.517 -4.100 -0.272 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 1.081 -0.216 -18.778 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 -16.443 -17.032 -0.112 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 -0.443 -3.589 -2.911 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 20.207 2.864 3.166 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 14.221 -1.496 20.400 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 -2.837 -2.375 0.323 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 -5.608 4.822 3.784 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 6.395 -2.495 -1.286 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 -0.431 4.345 -2.940 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 18.196 -10.217 13.859 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 -7.049 -1.245 15.780 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 2.017 -3.981 7.102 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 2.079 -1.968 14.185 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 -8.045 40.447 16.348 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 0.619 -2.629 2.340 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 9.755 -0.657 1.809 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 -0.326 2.264 5.502 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 -3.009 8.069 2.024 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 1.307 13.851 -2.733 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 -7.863 4.920 -6.557 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 -7.892 -2.355 7.574 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 -17.712 18.860 31.161 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 22.743 -0.245 6.918 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 -3.111 -4.014 3.162 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 1.943 -2.687 -0.114 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 -4.089 1.374 7.165 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 1.498 5.552 2.221 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 -10.311 -3.470 21.116 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 10.349 13.186 11.655 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 -2.301 6.884 7.898 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 -2.665 4.416 7.480 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 -7.784 7.301 4.978 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 8.598 1.062 6.466 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 -12.448 -7.927 -0.265 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 -10.378 -6.015 0.818 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 4.871 -1.036 2.987 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 -24.539 24.462 -22.728 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 2.592 -3.266 9.176 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 3.026 -4.201 8.582 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 -9.212 -7.119 -2.857 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 10.275 7.869 16.306 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 -2.123 -0.728 6.188 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 -5.846 -8.719 12.201 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 -2.478 -6.077 -5.102 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 -4.445 -1.731 3.105 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 -2.390 7.208 -10.273 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 -4.917 -3.242 6.798 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 -3.659 2.976 -2.646 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 -4.480 -5.628 -4.139 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 -13.741 18.984 6.617 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 -0.056 -6.358 -4.252 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 -7.724 0.610 -18.474 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 12.488 9.549 22.316 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 -1.507 -1.180 -4.313 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 11.344 -6.756 0.077 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 5.759 1.348 1.202 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 -0.555 -3.458 -6.134 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 10.889 -10.636 -5.423 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 -3.644 -12.322 4.244 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 -5.042 2.429 -0.300 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 -14.104 15.037 -7.816 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 3.742 12.849 -8.863 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 -1.332 -3.432 4.904 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 -3.855 -3.822 23.871 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 14.158 12.478 11.001 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 -3.519 -2.126 -3.873 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 20.454 0.689 -0.628 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 -0.154 -1.064 -5.386 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 1.022 3.722 0.057 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 18.650 8.023 13.826 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 28.796 25.949 2.189 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 -8.156 -3.672 2.794 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 10.707 11.054 11.698 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 -17.361 -8.552 6.461 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 2.019 -5.637 -2.500 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 -9.060 -0.505 -16.286 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 22.574 -9.893 -11.505 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 -5.483 3.773 5.838 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 -4.521 -1.675 -7.317 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 -4.182 3.327 -2.245 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 -5.046 -7.302 6.164 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 1.506 -13.427 11.483 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 -4.895 8.377 -5.616 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 8.288 -2.282 -3.937 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 -2.873 -10.669 -1.551 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 -9.748 -0.348 -34.196 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 -3.321 -1.867 -5.288 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 -7.854 -0.671 -11.453 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 -11.532 1.023 -16.858 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 -3.939 -2.963 -3.593 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 14.947 -1.489 -16.070 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 -19.614 3.453 -3.330 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 -1.203 -4.299 -3.241 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 -7.664 14.525 -22.377 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 1.582 7.125 21.771 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 0.801 6.874 -2.212 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 16.174 9.515 2.488 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 -2.443 -13.989 -4.120 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 4.068 -2.936 3.495 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 -12.934 7.401 -20.053 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 -20.786 25.282 16.203 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 3.908 -1.899 -1.395 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 -0.652 -4.650 -2.476 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 2.854 -2.187 -2.569 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 -0.250 1.125 1.186 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 8.602 1.660 -8.026 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 2.179 0.988 -10.732 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 -7.162 -2.702 5.978 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 -7.630 -5.114 8.377 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 -3.496 13.677 -7.794 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 0.100 6.735 7.556 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 10.723 -13.853 15.378 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 -4.009 2.936 -11.634 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 -1.464 0.284 0.808 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 29.775 6.922 -14.226 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 -5.334 24.145 -13.035 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 -3.098 -6.709 -3.460 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 1.390 -12.964 0.557 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 -0.436 -12.239 -21.061 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 -4.115 2.729 1.629 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 -5.626 0.387 2.140 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 -14.260 -15.827 7.793 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 -4.698 -1.893 1.325 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 25.187 -12.271 -6.026 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 -3.599 -12.454 -23.755 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 0.958 -1.446 1.094 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 17.502 13.990 4.018 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 -8.257 -11.485 -0.466 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 -0.818 -2.933 -3.259 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 6.190 -5.720 9.228 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 13.070 -5.377 -12.355 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 -0.005 -0.478 0.217 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 10.218 -0.420 9.779 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 -10.271 -10.082 6.260 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 5.782 1.544 0.256 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 8.911 6.033 -4.592 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 1.996 -0.641 6.277 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 0.961 0.381 -0.812 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 -14.799 3.294 -12.493 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 14.002 -1.578 6.673 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 0.340 0.004 -1.323 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 -1.387 -2.296 -10.890 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 -18.157 -16.960 -16.088 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 3.782 3.603 0.111 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 12.013 -2.787 7.046 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 -2.937 8.371 -8.978 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 -3.313 -5.290 6.843 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 -15.098 2.138 9.416 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 -7.054 1.002 -1.624 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 -0.787 1.724 -2.099 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 5.706 -2.054 -8.832 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 3.403 -4.849 0.881 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 -4.142 5.476 -6.143 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 -10.023 6.009 -4.885 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 21.378 -12.406 20.213 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 1.145 -1.802 -1.810 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 -2.921 -22.403 -9.875 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 25.164 -10.223 5.460 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 -0.747 6.519 3.197 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 -43.970 6.916 17.111 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 -3.183 6.316 9.284 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 4.340 1.971 0.937 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 18.233 -9.463 3.686 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 -9.821 20.220 -4.184 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 2.340 -1.508 -2.457 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 -10.753 1.311 16.040 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 -3.454 -3.802 9.565 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 -0.603 2.679 4.133 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 8.492 0.902 2.084 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 -1.742 11.964 8.271 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 1.248 -7.091 2.893 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 12.391 -12.393 13.861 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 -6.377 -4.864 -8.035 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 3.580 -0.625 7.695 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 -1.192 -25.014 -16.699 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 -20.670 -14.022 29.810 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 -0.493 -5.527 -2.399 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 -0.202 -7.638 0.267 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 5.483 22.095 -6.469 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 -0.388 1.260 3.694 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 19.265 -31.599 -2.265 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 -14.545 -9.304 -1.239 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 3.212 -4.638 2.971 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 -4.550 -6.306 -6.990 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 -3.518 -5.375 0.382 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 1.572 5.392 0.214 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 0.269 8.231 -9.931 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 10.105 22.328 -8.690 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 4.675 -0.406 10.160 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 3.015 -10.074 36.943 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 -1.633 -8.111 -11.514 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 1.366 0.931 6.387 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 -11.231 -2.402 -2.448 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 4.029 -9.645 6.737 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 -1.294 2.574 -1.659 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 -4.671 1.828 -4.117 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 -14.073 4.555 -5.567 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 -1.815 -0.105 1.096 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 -3.540 -18.871 12.652 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 -1.383 -23.430 19.001 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 -0.678 -4.894 -10.142 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 -4.226 10.916 -5.985 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 -4.025 4.824 -8.107 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 0.680 -0.028 -2.692 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 5.718 2.811 8.706 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 12.771 -12.014 -1.105 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 0.905 3.774 -0.264 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 1.203 2.566 4.434 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 -3.390 6.995 -1.522 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 -4.188 -2.708 -11.125 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 0.195 4.659 -7.430 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 -7.115 15.071 22.534 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 -2.440 -4.980 0.657 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 20.976 -20.031 -21.870 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 7.531 7.234 -23.322 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 -3.087 -1.056 0.951 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 -15.631 8.361 -3.720 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 -17.600 22.583 -15.993 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 0.476 4.017 -1.507 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 5.506 11.946 3.369 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 -3.129 0.966 -1.929 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 2.259 1.632 0.657 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 7.010 -4.329 23.725 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 -1.853 5.969 -24.533 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 3.200 3.284 1.810 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 19.206 -15.227 4.198 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 -15.588 -6.568 -10.993 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 0.254 -1.474 0.358 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 -1.407 -2.168 7.136 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 -0.530 -1.333 -0.460 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 -3.914 1.591 -10.844 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 -8.189 -8.938 -4.776 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 13.531 -0.149 -7.635 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 3.015 2.930 1.385 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 -0.412 -0.939 22.593 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 4.784 -5.288 0.212 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 -1.785 -1.443 -1.499 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 3.159 17.399 0.874 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 -1.864 -8.323 2.508 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 -0.892 -1.496 -4.500 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 -8.586 23.382 -12.560 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 10.885 10.023 -1.653 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 -0.465 5.257 -2.918 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 -5.044 19.810 -1.265 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 -2.751 16.525 9.654 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 -0.045 -2.895 2.804 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 17.425 9.797 -2.679 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 9.613 -18.881 17.778 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 2.536 0.872 -0.628 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 10.333 -1.702 13.318 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 4.384 11.127 27.647 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 -1.875 -2.941 -6.935 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 -10.385 -3.075 14.023 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 19.958 -20.113 -8.996 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 -1.287 -5.083 4.877 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 0.950 -3.362 6.242 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 -4.098 -10.204 -6.782 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 -2.760 -2.405 4.092 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 4.876 12.026 -3.193 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 -26.350 9.020 26.654 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 12.139 -5.776 0.529 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 -2.428 3.747 -20.825 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 5.239 -18.278 -3.445 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 -2.352 -1.571 -1.086 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 1.515 9.112 7.575 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 -1.557 -11.392 9.965 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 -2.217 -0.311 -5.143 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 0.235 -1.306 -1.354 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 -6.771 -10.758 3.558 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 -1.811 -1.907 0.526 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 7.945 -15.739 20.130 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 -39.719 -4.432 -1.408 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 -3.623 0.557 -5.761 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 4.679 -3.023 13.661 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 4.379 8.888 -13.163 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 -7.005 -1.478 -4.106 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 -4.662 19.071 11.240 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 5.953 -5.774 -16.321 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 6.386 4.275 1.822 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 4.566 8.091 3.045 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 0.587 12.117 3.298 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 -4.970 -2.962 0.770 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 11.639 -3.996 18.783 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 10.645 -3.874 7.879 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 3.801 -2.763 2.744 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 -0.759 -5.616 5.935 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 1.774 -14.854 12.720 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 0.162 3.215 4.149 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 -1.648 11.254 17.585 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 -18.563 -18.034 4.419 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 -0.305 -2.587 -0.645 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 -8.660 -3.198 -7.694 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 3.430 10.516 -1.005 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 1.374 -5.514 4.149 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 10.090 47.022 6.235 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 36.018 -15.773 10.754 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 6.077 -6.147 -2.054 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 2.276 3.452 -5.031 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 -1.891 -10.233 1.109 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 10.558 -1.549 -1.087 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 12.872 4.474 13.621 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 17.302 6.779 4.639 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 2.945 -3.408 0.496 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 -7.402 -2.057 -8.211 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 -27.532 -17.175 -28.347 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 -5.365 9.143 -0.124 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 4.110 -11.881 12.540 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 -1.474 -4.252 9.464 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 0.444 -5.136 -1.610 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 1.709 -19.579 6.080 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 -3.955 -10.674 -15.108 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 -2.263 -0.499 5.245 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 15.478 -1.441 6.003 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 -6.877 8.176 8.970 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 -4.610 -5.664 7.793 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 -20.441 1.342 -5.911 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 -4.448 8.409 0.930 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 -7.228 -2.127 -2.351 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 -6.048 -11.797 -8.300 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 -7.656 -4.415 7.261 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 -0.960 -8.251 3.319 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 -9.295 -14.180 6.912 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 13.586 -16.844 6.716 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 4.201 -6.899 -10.681 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 -7.989 -1.387 -15.967 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 -0.379 -0.226 5.954 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 3.945 -1.014 0.717 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 -0.290 -6.478 -2.072 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 5.806 10.210 7.079 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 -2.788 -0.748 -1.401 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 -10.229 6.237 2.784 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 1.353 0.660 -0.108 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 2.419 6.617 1.947 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 -6.847 23.764 9.454 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 17.009 -19.698 -9.446 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 7.291 -2.791 2.813 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 18.121 -7.327 -20.356 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 5.973 -19.137 14.415 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 1.986 5.188 -1.337 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 -0.416 9.960 1.960 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 -10.330 8.687 -10.091 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 4.180 -2.747 3.095 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 -9.999 -4.738 7.361 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 26.971 -1.628 8.572 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 -0.554 -3.308 -7.063 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 -2.446 -6.358 0.306 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 -4.565 -22.024 -0.262 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 0.069 -4.782 4.962 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 -16.302 9.805 12.744 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 14.916 8.409 22.491 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 -1.747 -7.308 0.114 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 -6.302 -15.775 4.502 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 2.438 -3.788 6.580 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 -3.017 6.068 2.018 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 -22.279 6.637 -17.690 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 -9.566 7.158 -5.894 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 7.932 -3.487 -0.709 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 -3.455 -2.626 7.598 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 5.201 -21.794 10.652 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 7.542 -1.363 2.580 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 -14.190 10.133 -9.538 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 0.121 -11.962 13.555 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 -1.690 -8.304 4.047 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 9.939 0.542 -5.488 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 13.857 11.455 17.870 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 -1.118 -6.276 0.384 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 -12.848 7.341 -6.439 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 10.380 1.863 3.615 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 -2.051 5.513 -5.037 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 2.505 3.737 1.061 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 -3.855 5.843 -1.010 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 -4.137 -2.381 2.079 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 7.466 -6.405 1.868 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 -5.229 -1.048 -11.477 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 -8.572 -5.183 0.325 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 -6.114 25.936 -54.305 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 -5.686 -4.861 19.545 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 3.451 1.328 1.584 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 12.763 -2.015 -0.346 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 -3.083 -1.543 10.974 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 -2.456 -3.182 -2.066 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 4.317 -3.830 1.351 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 -5.608 5.752 -2.108 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 0.104 -5.450 -2.020 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 10.762 -16.790 12.381 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 -32.781 5.655 7.342 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 -5.817 -4.470 -2.355 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 4.954 -13.118 1.636 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 -9.656 -10.766 4.440 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 1.533 -3.289 7.179 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 -21.814 -11.019 10.493 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 -0.543 17.227 -5.070 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 1.126 -7.203 2.684 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 0.421 -3.316 4.209 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 -0.983 0.164 8.846 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 1.621 -2.682 -4.141 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 -9.864 4.963 16.653 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 9.004 -8.473 -8.352 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 -4.875 -3.519 0.548 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 6.439 16.496 -19.490 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 3.542 7.345 1.428 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 6.596 1.651 -2.469 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 5.682 5.621 6.298 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 -6.540 14.827 -0.453 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 4.024 0.705 -2.441 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 21.437 19.622 -3.603 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 5.139 10.854 -8.078 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 -3.258 4.093 -2.781 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 20.885 6.071 -16.401 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 -17.198 -2.477 -13.207 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 2.823 4.589 -6.014 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 -13.697 5.670 -31.594 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 5.525 24.323 3.116 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 6.252 1.655 -2.510 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 3.007 -10.310 7.911 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 -6.365 -4.049 -19.870 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 3.303 1.876 -1.950 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 13.712 -2.413 16.610 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 -18.135 -14.841 3.940 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 -1.375 -2.632 3.602 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 6.210 -4.230 11.573 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 -18.051 26.001 -18.510 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 4.964 -7.199 6.799 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 -18.524 -10.617 13.602 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 -5.503 -5.479 7.123 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 7.273 1.348 3.001 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 34.397 -2.515 -7.244 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 -9.829 1.714 1.817 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 2.619 -2.355 -0.958 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 3.532 -30.335 -13.130 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 -39.254 -1.328 -1.187 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 -9.282 4.889 -0.037 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 -11.990 -2.215 -2.247 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 -4.250 16.976 -2.236 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 3.268 -0.338 1.952 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 8.227 -9.608 -9.910 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 9.901 11.499 -0.996 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 3.174 -2.998 -1.415 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 11.655 1.940 -1.099 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 1.878 -3.837 7.105 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 4.799 0.392 -0.320 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 -4.352 5.746 -7.884 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 9.282 12.576 7.059 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 -3.141 -2.952 4.562 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 -3.220 -21.371 25.102 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 -23.124 7.989 15.007 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 0.399 0.983 2.391 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 -2.954 3.541 3.332 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 11.803 -4.351 -9.339 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 -6.584 -2.395 0.088 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 -9.111 -14.439 15.686 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 -7.525 -13.914 -16.772 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 -10.038 -1.713 1.385 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 2.968 21.396 6.552 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 -32.816 5.075 -7.193 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 1.547 4.569 2.246 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 -5.036 -22.734 -0.564 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 21.509 10.345 -18.776 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 -3.263 -0.546 -5.744 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 -10.674 -2.334 -2.968 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 1.868 -4.357 -7.521 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 2.624 2.024 -7.319 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 6.169 22.376 0.763 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 6.295 5.719 0.536 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 1.877 -3.476 -2.673 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 -4.473 -11.931 -14.399 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 -1.294 -13.613 -37.303 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 0.602 2.162 -1.532 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 -4.168 2.578 5.292 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 7.661 3.991 -3.885 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 4.487 3.469 -5.048 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 5.179 -16.935 5.489 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 -12.124 12.364 -19.692 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 0.657 -4.389 0.383 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 -9.075 -0.979 3.965 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 14.079 11.784 0.009 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 9.238 2.107 5.869 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 -5.510 0.814 -18.745 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 -7.525 -5.530 38.948 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 -0.325 3.375 4.306 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 8.360 12.812 9.805 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 -8.373 4.567 10.586 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 -1.898 0.449 -5.191 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 3.327 -9.702 0.676 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 -9.143 5.596 3.079 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 -2.464 0.626 -0.030 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 19.960 8.661 4.540 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 -10.733 -2.100 -2.195 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 -4.615 6.573 -7.044 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 -9.034 -3.139 2.767 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 -14.114 1.993 25.110 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 -1.794 -1.737 -11.658 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 -1.687 0.426 2.837 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 5.633 -10.234 -11.732 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 0.410 6.435 -2.812 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 -4.723 25.397 4.563 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 17.655 7.507 -0.269 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 8.006 -1.150 -3.219 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 6.305 2.391 6.824 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 8.545 9.560 -6.755 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 -0.890 1.509 -1.779 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 15.866 2.443 20.387 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 21.697 32.131 -9.018 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 -1.750 7.004 -0.135 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 -3.568 5.621 -9.524 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 -23.452 7.962 5.293 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 3.319 4.775 3.419 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 12.781 2.087 -1.587 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 -2.042 1.419 2.377 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 6.232 0.915 1.539 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 1.095 -4.402 4.658 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 9.813 -4.986 -8.057 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 2.163 0.172 -3.878 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 2.568 -4.996 -4.152 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 -13.074 -0.893 -1.420 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 5.434 6.192 4.001 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 1.171 4.144 -1.924 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 -0.765 -23.220 37.601 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 3.594 -5.367 0.711 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 1.898 -6.735 8.730 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 1.258 -9.345 15.685 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 2.543 -3.976 7.973 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 -9.554 -0.166 -3.946 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 -2.184 13.701 15.519 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 6.004 4.979 4.567 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 13.379 11.991 11.516 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 6.941 15.060 -2.353 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 0.800 3.829 -2.650 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 4.690 9.532 9.467 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 -7.436 1.951 -4.317 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 3.938 -0.381 -6.620 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 7.807 25.740 12.770 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 9.654 28.140 15.417 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 -1.812 -0.489 1.686 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 -12.392 12.655 8.653 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 5.530 -0.918 -5.321 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 -4.525 0.635 -1.395 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 -2.445 15.722 7.191 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 -18.013 -11.003 2.129 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 -7.258 -0.060 8.462 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 -14.748 -9.313 18.096 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 -5.914 0.109 6.163 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 2.072 5.404 -3.329 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 -0.284 7.889 -0.578 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 3.232 11.085 -0.510 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 5.103 0.832 -1.041 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 1.303 33.878 15.159 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 -0.258 30.831 -1.968 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 1.096 1.220 -1.154 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 -30.343 18.927 -1.166 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 1.583 27.639 -0.547 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 -9.718 -3.120 4.907 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 -4.313 -30.608 7.986 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 6.158 19.616 2.757 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 -0.370 7.198 -0.829 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 6.808 4.678 9.513 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 -2.938 0.109 2.719 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 -0.956 2.035 4.476 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 7.212 -5.994 -2.462 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 14.044 13.460 47.237 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 -1.408 2.238 -2.260 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 0.019 3.641 -21.518 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 -9.403 -27.655 -2.042 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 0.036 4.539 -7.381 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 11.330 -0.778 -15.753 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 0.859 4.188 2.262 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 -4.776 -3.116 -1.444 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 11.454 1.624 19.723 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 4.579 1.869 6.269 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 -5.106 -2.871 4.058 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 -1.618 -4.084 6.496 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 -16.048 14.260 4.675 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 8.060 1.395 3.194 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 1.000 5.184 -20.951 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 8.556 -10.167 -25.129 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 3.459 2.550 -0.750 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 -14.690 8.492 -7.396 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 2.407 2.838 -1.744 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 -4.002 1.269 5.886 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 16.588 -7.619 15.110 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 -22.192 -12.145 15.151 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 3.043 -5.977 -7.562 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 1.216 11.086 1.032 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 4.290 -14.592 10.363 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 -1.382 4.779 -0.443 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 -11.615 29.759 -23.918 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 -5.182 -20.591 -6.297 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 -7.914 -0.240 8.317 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 5.947 -4.361 -0.739 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 6.293 4.593 -6.938 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 6.156 -1.878 8.663 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 4.755 11.103 -1.039 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 -4.983 1.178 -11.078 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 0.753 2.382 -4.284 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 20.766 9.716 -4.185 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 22.401 25.826 -4.990 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 -6.602 1.318 -1.117 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 -6.498 -6.801 -1.364 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 5.597 10.261 -4.910 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 0.792 6.012 -0.240 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 9.027 8.353 -28.274 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 10.346 10.457 9.113 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 0.174 -8.717 4.136 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 1.394 -0.272 2.827 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 -0.633 -2.822 1.536 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 1.006 -2.278 6.246 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 -15.240 -2.389 -11.071 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 -12.159 -1.445 17.347 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 7.837 2.473 0.234 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 12.454 0.286 5.344 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 10.190 -7.088 7.116 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 9.323 2.170 2.979 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 11.466 3.710 -0.421 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 8.161 -5.494 -14.571 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 -6.810 1.906 -1.122 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 9.855 -12.377 -19.093 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 -2.902 19.092 -1.040 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 3.817 -1.281 -2.914 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 7.341 -3.882 4.782 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 -11.608 -5.688 -3.396 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 9.643 -0.277 -0.594 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 -0.061 0.323 2.471 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 13.005 -15.362 1.306 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 -2.504 -0.373 -2.294 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 -2.504 -10.092 -2.218 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 -13.447 3.285 14.795 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 -8.358 1.514 3.208 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 18.004 -11.802 11.757 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 -7.709 1.864 4.195 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 1.911 -1.963 -3.111 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 10.676 -3.157 -0.441 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 -17.641 6.803 -2.523 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 1.341 -0.106 -2.044 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 9.938 5.724 -1.244 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 -3.986 -2.688 -3.487 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 0.328 2.678 -5.550 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 1.586 7.314 -10.281 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 3.079 -7.606 -9.496 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 2.057 2.237 1.415 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 -23.837 2.905 15.008 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 17.312 -3.761 -5.681 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 2.426 1.683 3.098 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 -12.074 -12.689 7.474 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 8.899 11.435 -4.360 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 -5.699 -0.678 -3.191 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 4.833 2.167 5.340 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 9.368 18.565 2.495 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 -5.816 -2.089 1.267 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 -8.978 7.117 -3.601 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 -22.176 6.101 -7.058 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 4.369 1.919 -1.193 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 3.608 -21.214 2.181 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 6.660 14.349 15.361 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 -4.816 -1.930 6.056 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 -1.039 1.850 29.420 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 -0.090 -3.560 11.821 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 -4.035 3.151 -0.328 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 1.415 6.043 7.402 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 1.857 6.589 -6.940 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 -7.657 -1.022 7.978 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 -4.997 -3.118 1.359 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 -2.899 7.897 -1.180 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 1.377 2.962 0.212 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 -3.459 -21.691 43.482 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 19.498 23.639 -20.004 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 -2.421 1.219 -2.809 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 -7.270 7.016 3.038 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 -5.761 -13.276 4.336 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 2.563 1.726 5.063 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 -5.012 -0.240 1.565 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 -18.053 -17.345 5.310 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 0.982 -1.524 7.413 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 -19.729 12.552 13.617 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 2.157 1.268 19.711 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 4.003 -3.577 -2.137 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 1.148 2.943 -30.319 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 11.434 3.796 9.598 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 9.306 -2.297 -0.574 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 19.748 7.862 -24.287 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 5.084 -7.653 15.983 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 -2.948 1.166 2.715 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 8.222 1.632 -6.911 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 4.631 -6.313 5.227 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 -3.113 -4.142 5.551 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 2.149 -12.333 3.138 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 -6.433 -4.267 3.630 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 -3.504 6.257 -3.398 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 -1.760 20.071 7.150 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 -5.078 9.461 -1.325 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 -0.350 -3.189 -0.041 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 6.407 27.198 -15.063 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 1.332 -14.636 9.531 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 1.429 -1.977 4.563 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 -4.776 -6.738 2.592 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 -7.253 -8.715 9.229 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 2.921 -4.822 -3.356 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 1.858 -10.438 -21.474 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 14.341 -3.765 0.938 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 2.668 -1.674 -1.566 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 -7.249 -0.961 2.109 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 -18.734 -2.387 6.254 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 -1.549 -3.305 -0.793 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 1.370 -10.800 13.215 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 9.068 -8.451 5.439 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 2.092 -8.013 6.278 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 4.945 -20.909 -12.927 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 -18.768 8.289 0.077 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 -6.086 1.800 -2.252 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 -4.481 19.452 -21.486 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 -3.939 0.216 -20.669 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 1.007 5.607 3.833 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 -6.628 -4.401 -15.020 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 12.395 -6.087 7.306 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 -2.030 -3.082 -5.527 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 -6.866 8.855 16.407 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 -10.778 -15.415 -9.133 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 6.702 -2.997 -0.966 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 -0.588 -10.169 -7.705 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 2.330 6.783 -1.649 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 1.357 1.537 3.723 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 5.293 -18.392 14.037 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 13.616 9.160 10.697 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 0.437 -0.376 1.808 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 -1.263 -31.158 14.344 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 -21.791 38.319 10.778 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 1.975 5.951 2.415 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 3.004 8.570 8.478 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 2.458 5.834 0.827 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 10.640 -4.904 0.213 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 -4.150 -8.483 -16.861 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 -0.792 -24.662 -0.448 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 -1.714 -3.587 4.720 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 -7.451 5.865 -13.340 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 20.083 1.142 5.962 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 2.499 0.800 5.212 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 4.709 14.882 -26.561 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 20.927 6.539 1.185 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 -0.174 1.229 -1.201 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 -5.530 1.266 1.338 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 -6.692 1.154 1.921 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 1.242 1.041 4.337 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 -0.396 -6.567 18.250 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 2.442 0.627 4.643 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 3.588 -2.985 -3.104 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 -2.083 11.589 1.331 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 7.709 6.603 -10.305 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 1.305 0.366 8.821 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 13.253 -3.933 5.770 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 9.337 -13.448 -8.575 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 -5.380 -2.748 -3.545 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 1.315 4.859 8.658 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 -1.012 8.974 19.565 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 2.231 -8.720 -10.500 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 -9.508 -5.300 26.852 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 -1.960 3.490 25.527 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 -3.689 -4.277 5.946 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 22.014 -5.008 9.660 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 -23.277 -14.986 -18.033 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 9.717 0.237 -1.822 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 7.473 3.272 -1.701 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 10.755 3.897 -9.154 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 -3.128 -5.753 -5.571 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 9.133 7.773 11.910 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 2.315 23.321 14.776 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 0.294 -6.549 3.332 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 -4.544 1.725 -16.429 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 0.261 -1.438 -5.737 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 -6.182 1.217 9.586 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 6.835 -9.067 -1.459 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 11.841 -23.631 -7.996 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 1.388 -0.272 1.326 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 7.835 15.305 -21.036 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 -8.377 -15.476 -5.797 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 2.170 0.876 -2.774 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 8.214 4.587 -22.408 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 -4.556 26.637 9.052 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 4.510 -1.772 1.383 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 2.142 -3.391 -5.176 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 -0.794 -26.081 -18.904 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 -8.040 5.154 4.767 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 1.629 -2.241 -0.077 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 2.981 -3.864 1.036 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 1.941 0.979 -1.108 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 8.664 5.249 -0.565 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 -12.158 21.060 -13.999 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 -4.161 -7.696 -2.240 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 -7.234 -3.539 -3.465 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 -12.144 5.033 0.022 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 -0.230 -3.943 0.614 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 2.373 -6.933 -3.833 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 -6.271 -4.981 -1.416 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 -1.117 -0.754 -4.402 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 -5.989 -20.890 9.854 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 -11.535 2.933 -11.882 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 0.766 -1.276 0.535 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 9.827 -12.074 5.285 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 2.681 15.337 7.503 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 2.833 5.839 -0.553 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 -29.043 22.534 17.894 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 -7.988 9.810 30.536 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 0.256 -4.095 -1.252 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 -6.348 18.589 -6.080 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 -5.449 17.290 -1.255 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 -4.180 4.063 4.684 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 7.528 3.099 22.453 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 14.719 -17.405 -0.157 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 3.436 1.208 7.522 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 13.092 -23.405 -17.201 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 22.473 31.860 -2.907 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 0.220 6.372 2.601 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 -6.513 3.612 17.273 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 16.283 5.037 4.892 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 2.897 -1.340 -1.623 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 -22.011 3.739 20.197 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 -11.690 6.118 13.254 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 -7.994 -0.630 -3.061 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 11.014 -16.975 -13.686 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 3.468 2.925 3.603 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 -1.437 2.689 -2.434 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 -11.137 24.154 29.488 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 -5.682 17.624 13.207 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 -2.571 -0.119 -0.166 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 -1.967 -11.453 -13.054 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 6.008 9.728 2.549 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 4.278 -3.148 -5.014 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 12.812 -20.395 16.853 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 -1.020 18.985 -18.249 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 3.730 -3.065 -2.712 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 -13.585 14.903 -4.084 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 -17.471 20.948 7.326 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 1.010 2.556 -0.889 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 13.521 -5.725 3.632 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 7.445 -6.252 6.687 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 3.157 7.395 5.880 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 1.088 12.559 1.685 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 18.491 -12.370 20.251 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 -2.844 2.449 -8.877 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 4.079 -10.893 -8.144 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 -23.640 34.065 5.890 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 4.168 -0.332 3.505 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 -9.568 -12.287 11.687 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 2.919 12.011 8.554 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 -5.887 3.445 10.041 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 14.380 -9.697 6.848 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 -0.856 -9.578 21.718 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 2.037 -4.011 1.236 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 -0.605 -4.835 1.469 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 14.286 5.351 -4.957 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 1.744 5.740 1.335 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 -18.092 -3.671 -10.873 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 -0.212 -4.779 24.448 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 -3.387 4.682 -0.107 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 -0.488 12.931 -8.098 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 1.197 1.589 -6.035 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 2.404 5.138 0.544 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 6.706 4.544 -11.861 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 2.622 2.810 -14.923 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 3.569 5.672 -4.909 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 -11.394 -18.649 -11.669 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 3.082 -9.411 -19.653 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 -6.776 1.771 2.048 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 7.930 -11.128 15.569 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 -4.982 26.181 -5.559 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 -6.503 -0.931 -0.702 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 -0.891 -4.752 3.240 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 -4.117 5.555 21.084 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 -0.806 8.317 -7.660 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 0.681 -13.820 0.520 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 0.810 -3.245 15.190 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 -0.943 1.141 -5.551 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 0.493 -5.679 16.482 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 -5.037 -1.917 0.268 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 -1.176 -2.167 -2.778 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 -21.106 -0.410 -26.990 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 -19.013 7.559 19.347 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 -1.279 -2.537 -5.864 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 -1.392 -6.102 24.378 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 3.200 1.582 -3.881 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 3.238 -10.018 3.001 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 1.577 -12.504 -7.144 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 7.965 7.331 -3.642 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 -10.083 -0.967 -2.282 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 -17.757 -15.305 -5.850 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 7.253 -7.359 -20.740 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 -3.661 4.893 -3.150 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 1.849 -12.395 -8.248 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 -5.176 14.349 5.619 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 -3.566 1.991 2.925 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 33.908 -15.385 6.111 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 -3.635 -10.713 20.755 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 0.447 2.735 -1.859 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 9.671 23.261 -7.760 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 -16.473 -0.772 24.313 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 0.091 -1.951 -2.496 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 17.613 17.139 26.120 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 -4.970 5.096 -9.002 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 -5.083 -11.208 -0.814 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 -7.289 -1.840 10.953 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 -11.422 -15.202 -14.767 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 6.927 -5.718 -0.580 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 2.813 -9.540 8.246 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 8.381 23.016 -4.718 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 -0.590 3.092 -8.534 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 4.840 -15.994 -23.835 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 -3.950 6.720 -7.743 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 -1.516 -6.589 -6.956 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 -8.799 -6.203 -1.779 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 9.695 6.663 -23.038 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 1.190 -2.648 6.202 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 -6.901 0.751 4.368 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 -16.987 -5.541 -6.597 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 -1.565 1.269 -5.715 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 9.579 5.424 -2.024 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 9.486 -0.339 -4.197 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 -5.037 2.721 2.535 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 5.041 -8.183 29.991 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 10.893 -19.882 -18.943 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 0.480 -0.814 0.980 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 -7.492 -18.254 2.996 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 -2.495 13.621 -1.398 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 -0.403 -5.200 3.480 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 -8.007 -3.038 -13.365 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 -15.478 -3.341 -20.904 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 -2.912 0.910 1.445 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 -2.901 1.573 3.692 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 -21.018 2.233 14.115 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 2.059 -5.444 0.816 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 -6.729 -26.521 18.475 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 -2.698 -7.611 -1.598 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 -4.990 2.861 -3.980 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 -4.426 14.209 12.039 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 -5.414 19.413 -13.796 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 -5.057 -7.612 -7.853 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 2.434 -8.132 -6.514 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 7.859 -8.108 -5.791 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 2.132 -3.428 -0.034 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 -0.570 2.879 -23.152 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 -6.124 5.388 12.056 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 -2.994 1.760 -4.655 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 23.691 23.969 -1.254 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 -21.649 -5.450 3.336 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 0.712 -7.854 -0.700 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 -3.595 -12.805 2.553 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 15.206 8.251 -12.681 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 -5.842 0.035 4.751 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 -5.033 0.621 -12.074 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 4.777 12.080 8.722 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 7.109 -6.682 -2.047 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 -8.114 -16.917 5.400 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 19.163 -9.404 -18.884 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 2.271 -1.566 -5.476 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 17.085 -3.658 5.080 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 -14.866 17.337 -9.532 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 -3.904 -3.096 0.116 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 -9.003 -6.860 -6.394 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 -9.973 15.436 -4.371 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 0.647 1.659 4.719 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 -8.014 2.412 -13.876 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 -9.374 -19.156 2.029 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 -4.977 0.593 1.368 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 -1.810 -19.404 -4.528 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 0.353 3.286 12.681 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 1.278 0.074 6.770 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 -35.917 -31.696 -10.464 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 7.894 5.816 10.387 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 -4.826 -3.264 6.498 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 -8.009 7.544 -14.675 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 10.542 9.016 -17.188 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 2.818 -3.024 0.148 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 -1.450 -8.400 -2.600 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 -4.727 -26.856 -8.820 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 6.101 7.526 -1.016 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 3.189 13.374 -9.229 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 -16.181 -18.815 23.006 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 -4.338 9.114 -2.959 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 0.780 3.589 -7.829 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 -4.902 8.803 -2.387 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 -5.591 -1.512 7.537 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 2.003 5.830 11.641 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 19.346 21.294 12.831 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 0.418 -0.726 2.612 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 10.148 5.733 -2.242 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 -5.108 -16.825 11.699 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 -3.082 1.408 -0.492 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 -5.125 2.276 -0.549 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 22.649 -14.442 -3.017 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 0.592 1.713 -1.174 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 16.428 -3.259 0.794 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 29.399 -1.647 17.150 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 1.256 -1.125 4.745 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 -10.307 -1.737 14.974 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 16.824 4.637 12.706 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 1.378 -2.315 0.932 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 2.327 0.516 9.680 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 7.398 -6.259 -4.206 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 3.851 -0.278 5.962 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 -18.389 -13.890 -25.361 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 -4.163 31.391 12.806 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 5.236 -1.453 2.988 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 -10.803 -5.500 22.975 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 1.054 15.042 1.361 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 5.827 3.899 0.580 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 3.469 4.929 10.412 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 -0.079 -5.069 -14.151 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 5.287 -5.290 -3.735 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 0.708 -2.527 -7.891 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 10.615 8.000 -2.420 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 -1.449 -0.282 -7.311 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 -14.606 11.470 -4.097 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 2.663 5.353 1.467 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 2.604 0.493 2.653 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 8.218 -6.359 4.756 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 -2.206 -5.074 9.404 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 -3.452 -6.662 -8.422 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 14.634 -1.460 13.640 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 28.207 1.178 7.087 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 3.945 -5.707 -1.899 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 10.592 11.236 1.939 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 3.582 5.944 -9.155 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 -1.939 -1.050 -1.663 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 0.452 -8.542 -22.193 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 -15.470 5.488 -8.004 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 -4.281 -0.798 3.247 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 -3.900 7.172 -10.198 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 -4.476 3.741 -3.738 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 -1.860 -6.245 1.651 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 -24.435 -6.732 -7.117 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 -15.463 -11.539 25.330 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 -2.700 2.850 -0.303 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 -8.204 3.395 2.401 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 -0.465 -12.419 14.739 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 -0.096 -3.270 3.499 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 27.054 0.221 1.833 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 10.168 -11.660 12.629 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 0.196 -4.419 -0.651 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 6.289 -7.139 -8.363 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 6.743 -10.417 -3.582 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 -4.683 -5.204 -2.313 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 -2.560 -3.938 -3.266 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 -3.359 -8.193 -2.447 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 1.685 1.041 -0.715 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 15.390 -0.197 -24.076 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 12.489 26.212 9.965 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 6.025 4.627 -0.434 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 4.672 1.229 -1.408 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 -4.394 8.617 -1.271 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 -3.982 7.248 4.268 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 -1.477 0.713 7.792 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 -8.656 4.647 11.414 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 -9.264 4.145 6.017 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 -11.989 15.689 1.400 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 -16.870 -6.904 -19.425 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 1.886 -5.355 1.461 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 8.752 -10.282 -6.276 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 9.529 2.472 -1.853 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 -4.651 4.734 -2.225 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 -22.354 13.286 -10.196 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 6.515 7.359 4.667 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 -0.904 1.437 2.941 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 23.513 11.013 -4.243 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 17.196 -5.048 -4.961 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 -1.436 1.154 -0.187 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 -0.855 -2.220 5.775 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 0.990 1.294 5.640 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 -5.776 -2.308 -2.664 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 -8.902 -4.675 0.608 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 23.282 16.947 -16.827 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 -0.310 0.386 -0.687 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 -13.639 11.370 5.320 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 1.170 4.438 -0.899 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 -0.737 -3.323 2.534 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 -1.051 -11.001 -15.329 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 13.397 -8.201 2.871 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 1.279 1.680 0.238 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 2.339 -22.346 7.359 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 -15.698 -10.137 2.129 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 -1.528 -5.037 7.470 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 2.900 -10.523 5.409 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 -3.822 3.905 8.169 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 3.661 -1.129 -2.551 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 33.191 12.206 -16.588 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 28.603 15.975 -18.597 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 -0.522 6.969 -3.136 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 -16.131 -9.497 9.532 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 7.858 24.843 -3.699 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 2.090 3.502 1.240 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 5.900 3.524 -0.643 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 2.811 5.355 0.383 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 -3.184 3.727 0.464 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 9.618 3.802 18.653 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 -1.232 -5.221 -17.013 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 3.746 -0.487 -3.242 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 -19.897 -5.099 -13.287 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 14.663 -1.325 -3.620 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 -0.011 -0.024 2.833 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 -14.373 16.334 -16.438 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 -9.171 -5.405 -20.881 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 -11.189 -5.503 0.344 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 -18.354 -2.355 -9.804 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 -1.437 9.317 -2.574 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 6.099 6.039 2.846 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 6.193 1.947 6.115 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 12.789 5.877 -4.931 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 1.914 -3.484 1.040 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 8.627 0.594 6.543 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 0.939 -3.891 -1.992 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 -6.614 3.961 -0.153 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 -3.856 15.748 -27.205 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 -3.449 19.326 -32.177 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 -8.031 1.897 1.813 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 20.508 2.975 -7.969 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 -6.318 10.681 -0.060 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 -10.574 -5.018 7.102 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 -5.838 -5.022 8.236 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 -5.392 -5.420 12.217 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 2.537 -2.890 0.850 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 -16.602 -8.773 9.159 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 21.193 20.254 -18.154 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 4.331 -4.849 2.879 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 -0.105 -0.949 10.467 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 0.673 2.970 10.266 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 -1.657 -1.518 -3.398 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 2.169 0.098 9.309 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 -12.877 4.988 -5.729 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 1.548 -3.363 -1.207 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 -6.913 17.211 5.876 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 -6.316 19.215 7.300 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 -1.650 2.248 1.206 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 14.735 11.687 15.345 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 -0.038 2.010 1.015 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 1.566 -3.521 2.512 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 21.740 -18.506 -11.527 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 2.274 -1.334 -6.404 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 3.129 4.481 -1.652 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 36.069 9.656 -26.039 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 -13.348 -2.537 5.875 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 -4.174 1.132 -1.570 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 0.716 2.220 2.357 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 -32.656 -2.920 -19.069 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 7.549 8.194 10.604 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 13.144 9.445 -25.416 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 10.209 32.302 3.213 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 1.301 2.453 -0.837 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 18.954 -2.521 -8.004 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 -20.934 4.392 7.549 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 -5.510 -4.264 -7.599 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 -15.162 -1.603 -18.985 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 -0.348 -6.701 1.043 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 -2.236 -4.395 4.707 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 1.567 -15.145 8.776 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 2.931 2.720 4.701 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 2.662 -2.009 1.447 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 12.857 -5.856 5.506 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 -10.042 3.016 -4.026 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 -2.290 -7.919 -1.397 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 -13.246 10.734 -7.441 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 3.279 -9.856 6.919 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 -1.793 1.409 -1.449 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 4.420 -10.801 12.328 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 -18.037 -5.410 -1.010 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 1.059 1.091 -4.162 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 4.160 19.854 -10.039 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 -12.813 3.463 -6.884 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 -3.562 -4.179 -8.975 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 6.751 8.707 -2.167 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 -4.211 12.713 -15.769 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 3.827 0.106 -6.299 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 -3.718 0.104 -8.179 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 5.543 4.689 1.005 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 1.445 -2.110 -0.077 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 5.328 1.876 -0.163 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 2.989 -4.039 -4.003 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 0.662 -0.222 -2.048 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 0.127 12.574 -8.832 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 -5.307 -14.345 8.458 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 -1.652 -3.869 -3.243 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 -4.595 4.977 -3.318 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 3.617 -21.593 15.059 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 1.135 -4.148 -2.742 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 -7.725 21.973 31.733 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 -10.005 26.349 -9.415 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 9.346 2.225 5.503 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 -12.092 -17.563 -10.919 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 -7.303 20.175 9.866 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 -4.656 -1.697 -0.677 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 -5.033 -0.181 -1.447 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 -4.915 2.702 -4.109 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 1.949 1.484 -2.020 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 -14.506 10.337 -1.376 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 -20.366 4.395 -6.398 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 -4.346 -3.920 -2.508 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 15.461 -8.346 -7.699 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 0.886 13.555 10.747 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 3.317 4.973 -2.249 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 3.796 9.685 -14.160 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 14.363 -8.228 3.903 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 1.339 1.567 -3.419 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 -1.903 -9.205 15.465 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 1.080 5.416 2.308 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 2.762 7.081 -1.607 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 -19.091 19.373 3.388 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 -16.658 6.130 11.938 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 3.168 -4.758 5.855 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 13.373 -7.635 3.174 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 -14.953 -7.397 3.922 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 -3.974 4.107 -0.998 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 -6.876 -3.061 2.024 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 -0.917 6.885 -8.961 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 7.864 -1.872 -0.038 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 0.499 -1.011 22.166 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 -2.690 4.547 -25.359 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 2.738 -0.424 4.390 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 13.977 -7.804 5.662 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 -7.419 2.624 -1.690 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 7.921 -1.690 1.378 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 -3.706 -0.682 9.875 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 29.048 -7.262 2.273 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 1.271 0.491 -2.006 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 -0.141 2.379 -0.119 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 -0.175 5.044 0.036 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 1.904 0.632 -3.170 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 -1.694 9.085 4.767 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 -4.162 -6.282 -1.433 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 -1.343 6.337 4.118 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 29.982 -4.449 11.638 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 -17.773 23.605 0.031 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 3.938 9.775 0.859 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 3.663 7.296 8.789 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 -5.562 19.722 -12.275 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 -8.208 -6.594 -6.747 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 -10.017 -5.704 -13.389 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 -25.640 -12.264 2.091 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 3.162 2.540 4.404 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 0.868 23.841 -13.207 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 -3.768 15.813 -1.474 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 1.664 3.629 -0.042 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 -11.559 -41.930 -0.384 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 -30.804 13.385 -11.013 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 9.106 0.087 -1.111 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 -15.466 5.553 8.838 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 37.047 1.473 -8.701 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 0.179 -4.487 -2.056 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 1.224 1.229 -17.791 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 2.763 -4.409 9.522 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 5.151 -1.470 1.833 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 -2.791 -6.227 0.226 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 19.605 22.100 -4.091 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 4.688 -1.360 1.100 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 -7.364 13.826 -8.458 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 -7.629 -16.679 1.462 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 1.375 5.755 5.443 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 -21.560 -11.730 -11.754 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 0.649 0.609 -32.647 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 4.926 -6.652 -1.069 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 5.011 -6.989 -15.165 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 5.774 1.203 5.232 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 -8.170 -4.518 -2.268 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 -4.415 -1.294 -2.054 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 -4.694 -0.601 -7.714 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 6.588 0.912 -1.454 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 3.476 -6.710 -6.777 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 -5.901 1.205 -0.949 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 2.942 -0.739 -4.764 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 3.759 -2.090 -6.732 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 -12.027 23.264 12.260 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 -1.738 -3.122 2.724 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 4.961 -8.895 -6.445 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 -19.797 7.145 -2.044 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 3.012 -1.242 2.516 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 32.041 15.464 10.108 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 9.719 -2.986 7.615 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 4.672 0.214 -3.196 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 15.696 -18.786 16.897 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 5.819 -12.535 -8.734 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 -0.516 -0.488 1.985 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 -26.996 -13.844 0.100 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 21.147 -0.710 -4.339 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 -0.641 4.412 -0.285 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 -10.352 -12.303 1.945 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 -11.888 12.765 -10.384 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 9.167 -1.118 -10.920 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 4.271 -9.126 -5.344 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 39.723 25.176 -1.413 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 -3.817 -0.305 6.319 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 2.351 -17.871 -1.179 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 8.771 25.635 -3.138 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 -0.054 0.896 4.260 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 3.408 20.837 9.210 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 1.534 -6.698 5.868 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 -2.912 3.806 -1.414 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 -15.125 -1.937 11.905 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 -18.622 -1.195 9.149 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 5.189 2.033 -2.121 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 0.300 -7.267 7.471 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 5.532 19.575 -6.911 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 4.668 1.179 11.089 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 -4.417 -2.933 11.062 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 -1.212 4.970 4.989 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 -4.283 9.211 -8.527 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 -3.315 13.943 -26.941 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 1.598 5.805 -4.411 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 -0.802 -0.451 -6.756 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 -10.055 12.064 2.853 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 -8.440 -15.675 -0.768 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 0.114 2.603 6.240 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 -16.047 0.618 3.370 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 -1.517 -34.148 -23.058 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 0.753 8.686 4.241 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 11.291 9.894 -4.756 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 11.093 6.969 16.528 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 1.735 1.787 -3.844 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 14.953 -1.079 7.201 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 -6.545 8.715 12.260 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 2.411 1.510 -5.307 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 15.119 20.812 -1.384 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 -4.765 -2.228 -5.387 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 -3.306 -1.456 4.842 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 -15.649 -1.396 5.255 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 0.701 -3.645 5.453 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 2.087 -3.133 -1.898 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 25.472 1.281 -0.482 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 -4.634 9.834 -21.575 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 3.577 -0.980 -1.980 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 -19.452 13.387 1.039 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 -6.733 -1.156 -13.823 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 -0.345 2.135 0.496 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 -17.735 17.523 28.930 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 10.043 -19.777 -9.819 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 -1.315 5.643 1.318 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 17.329 6.688 -6.468 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 -12.363 -3.885 -34.768 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 3.538 3.827 -0.640 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 18.168 18.449 -0.995 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 -3.979 -0.067 1.613 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 2.854 -2.080 -0.898 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 6.435 -2.423 3.319 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 1.164 8.467 1.531 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 4.096 4.532 7.349 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 -0.661 -3.954 -25.764 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 22.015 4.070 -14.952 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 -6.149 5.560 -6.283 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 14.108 32.811 14.296 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 9.379 6.513 -1.049 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 -3.012 -1.472 9.823 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 -8.526 -15.424 22.651 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 10.372 27.660 3.637 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 -2.500 1.172 -2.100 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 -0.905 -8.888 -2.834 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 -9.216 -0.361 4.015 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 -4.377 -3.125 1.405 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 24.443 -1.819 28.823 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 -5.012 1.741 -18.412 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 6.391 -6.422 2.182 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 13.183 -1.702 -2.729 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 4.604 8.268 7.956 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 -4.184 1.787 -0.984 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 2.369 -5.362 -3.133 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 -10.157 7.615 -10.752 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 4.494 -1.636 -2.155 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 -16.507 -2.474 -7.556 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 0.507 -2.876 -5.027 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 -2.602 0.026 -12.223 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 10.234 4.498 -11.536 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 -21.841 -5.826 -12.051 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 4.728 0.109 4.368 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 -8.272 10.147 8.504 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 21.121 -11.212 -3.182 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 2.013 -1.632 7.931 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 12.257 -9.501 7.253 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 -11.158 2.660 21.307 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 -0.605 0.618 -2.347 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 1.922 17.557 16.949 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 2.754 -0.739 1.001 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 -4.975 -3.498 -6.465 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 -5.658 -3.406 -5.358 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 5.666 -4.308 -3.346 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 -0.719 0.105 -6.593 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 4.143 4.399 0.911 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 -8.302 -5.250 -17.924 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 -7.659 6.612 0.897 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 -26.617 -16.199 5.841 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 34.991 -6.570 0.485 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 2.589 -0.213 2.739 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 16.001 -3.999 8.878 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 2.269 -4.983 -5.792 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 0.216 6.197 -1.768 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 -1.543 6.404 -2.724 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 23.383 2.780 13.251 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 11.200 -7.403 -5.181 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 10.458 22.102 -1.354 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 -17.134 -9.192 -18.371 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 -0.054 -3.997 3.803 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 18.941 1.080 10.402 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 -13.794 -8.958 2.004 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 5.798 -2.896 -6.481 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 0.255 7.962 -8.802 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 -0.323 15.787 -10.411 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 -4.545 1.425 -1.468 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 -8.591 -25.023 10.455 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 -0.223 29.455 -19.498 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 -5.133 -0.801 -4.993 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 -6.523 0.569 -5.950 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 10.677 -12.502 10.206 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 0.431 1.032 -2.628 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 -0.288 9.152 11.339 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 -6.050 -28.458 20.927 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 -2.303 0.415 -5.303 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 -11.622 -6.443 -9.862 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 -14.358 21.946 2.053 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 -0.369 -1.017 -4.105 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 -2.381 0.786 2.961 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 -2.368 -2.579 14.378 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 -3.536 1.513 3.161 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 -4.803 1.771 7.272 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 -0.129 7.552 1.547 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 0.272 3.834 -0.300 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 3.424 -19.600 -16.992 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 -27.431 -10.585 14.056 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 1.156 2.342 -2.003 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 8.844 5.735 -7.012 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 -15.284 -15.354 8.571 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 4.901 3.939 -4.382 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 0.656 2.486 8.215 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 -10.912 2.046 -6.018 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 -5.723 -0.482 4.456 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 -1.369 -3.029 8.170 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 36.110 2.492 7.003 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 -1.147 -8.065 -1.823 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 -1.670 -7.798 2.464 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 -13.182 -12.890 1.452 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 0.394 3.684 -3.865 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 -22.921 -13.011 -10.596 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 -5.427 28.352 -17.078 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 -0.266 -3.752 1.271 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 11.252 -4.169 3.737 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 -1.584 4.355 6.666 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 5.211 -4.389 2.981 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 -4.555 13.899 -32.091 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 6.268 -12.063 13.108 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 -0.474 0.384 -2.119 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 15.619 11.986 -4.398 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 -28.778 -27.066 8.838 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 -1.918 -5.073 9.522 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 4.541 -5.644 -26.271 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 -17.547 -6.844 -7.438 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 -0.472 -0.256 -4.632 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 -12.452 -32.036 5.275 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 10.674 20.863 -2.825 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 0.021 -1.447 2.968 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 5.730 6.108 -0.407 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 -16.373 -9.947 10.246 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 0.712 3.455 0.463 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 -3.758 -9.347 9.562 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 -20.507 3.835 0.288 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 -1.220 -4.124 6.294 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 -11.210 -8.988 7.750 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 -2.097 6.287 10.535 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 -5.985 0.274 -1.237 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 26.187 -24.895 -16.862 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 4.893 21.639 13.448 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 -1.815 -4.451 -1.775 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 -0.375 -15.568 3.379 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 -20.235 -7.909 6.966 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 -6.408 6.786 4.709 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 -40.259 -15.892 5.076 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 -8.471 17.247 -16.117 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 -2.086 1.711 3.953 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 -14.742 -9.504 20.385 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 -5.076 9.373 14.675 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 3.314 -1.797 5.597 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 -1.603 -8.301 -24.197 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 2.144 -2.892 -0.796 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 -4.169 -2.273 0.125 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 -1.661 -1.820 28.805 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 12.895 -1.648 -4.383 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 8.498 -6.049 -2.087 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 -30.893 -16.844 -14.151 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 -9.121 12.449 17.982 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 -2.066 -1.036 4.704 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 8.886 -1.021 15.104 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 -0.376 -2.785 -10.201 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 -2.837 -0.767 -2.386 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 -3.559 1.103 -1.523 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 -18.685 6.533 3.047 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 6.785 -6.967 0.884 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 3.594 1.114 -8.731 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 -7.445 14.227 -22.906 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 3.620 -3.566 -0.169 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 -0.622 -0.894 1.289 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 1.604 2.925 2.667 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 4.894 6.506 0.984 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 5.668 5.669 -2.384 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 14.847 11.921 11.873 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 -1.035 1.006 -0.781 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 0.448 27.631 -8.651 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 -7.031 -9.413 16.972 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 -1.410 -5.891 0.811 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 -13.200 16.873 -2.686 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 8.336 11.927 -1.894 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 2.970 -3.465 0.648 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 2.279 -3.535 -1.997 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 13.682 -7.476 -5.391 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 1.555 2.343 3.058 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 -3.063 7.631 -8.085 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 -0.238 0.646 -0.692 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 1.739 0.087 -1.551 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 -0.349 -31.927 12.024 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 -2.519 -6.931 -17.923 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 0.105 1.313 -3.022 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 -29.582 12.502 26.813 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 8.760 -2.303 20.440 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 4.411 -2.670 -2.073 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 -3.118 -23.032 -8.321 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 -3.792 -14.918 -4.652 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 -2.745 3.677 -0.940 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 -11.957 3.905 9.936 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 0.372 -7.215 4.857 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 3.862 0.199 -2.723 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 1.115 -23.970 -1.191 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 -6.620 12.863 -6.185 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 4.203 0.282 5.798 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 -10.823 -14.447 -5.812 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 -8.421 -2.142 9.583 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 3.234 -2.825 3.399 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 5.706 -4.333 8.003 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 -1.428 -1.367 0.768 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 -5.918 0.729 -9.997 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 9.663 -29.109 6.930 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 -14.171 -1.340 -14.282 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 -3.297 -1.599 -6.073 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 -1.571 9.054 11.160 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 -11.722 -1.485 -17.584 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 -2.301 -4.482 -0.559 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 -0.994 14.887 17.713 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 -0.786 26.018 9.599 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 -1.066 -3.377 2.472 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 -9.000 12.620 -30.752 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 19.326 -2.108 19.167 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 -0.857 -0.859 0.632 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 -0.077 -9.235 12.597 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 -9.355 -0.113 1.674 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 -0.686 -9.188 -3.916 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 4.803 4.387 -18.408 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 14.907 25.121 -23.515 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 -0.926 -2.383 -6.371 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 -7.435 11.954 -5.146 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 8.527 -22.183 -10.590 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 -2.701 -2.967 -3.313 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 -22.546 -2.202 27.082 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 32.039 -14.490 -4.862 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 1.695 -4.483 -3.042 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 4.473 5.167 -12.623 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 -31.487 -9.044 14.429 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 3.410 -1.400 -0.333 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 22.543 4.295 1.162 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 30.511 -7.669 -16.436 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 1.438 -0.240 1.356 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 -7.766 22.668 -2.514 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 1.599 4.865 2.820 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 5.932 -0.837 -0.888 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 3.547 3.922 7.243 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 3.691 4.702 -8.347 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 -5.590 -0.569 7.490 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 -12.314 1.437 -7.918 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 -0.046 -0.507 17.856 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 -2.960 2.886 6.352 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 -7.264 2.551 0.434 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 -3.627 1.156 19.822 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 -2.140 0.053 -0.016 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 -7.172 -10.976 2.733 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 -2.159 -4.652 3.239 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 0.428 -1.258 3.047 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 3.728 -2.334 7.846 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 -1.889 -1.239 0.614 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 -3.200 0.207 1.620 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 -8.859 1.551 9.678 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 0.153 -8.892 2.861 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 -0.498 -0.666 -2.553 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 -19.814 14.080 -20.466 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 -12.781 -19.467 8.685 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 -5.815 -2.127 4.637 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 -12.721 -4.826 3.447 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 -14.203 -0.512 5.416 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 6.787 -1.022 -0.548 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 -2.633 -2.101 -6.371 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 13.232 8.284 -4.582 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 5.632 2.606 5.959 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 9.380 -8.029 3.688 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 -9.884 -8.661 -17.274 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 -0.520 -0.840 0.420 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 -15.921 1.156 18.650 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 11.323 -2.543 -14.891 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 -1.932 6.551 4.982 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 -3.184 5.014 1.246 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 -5.382 9.202 6.596 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 5.926 2.965 4.893 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 -3.918 4.876 6.766 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 -4.260 4.418 -4.264 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 -0.960 0.387 -0.949 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 -0.284 10.313 4.760 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 9.395 -2.807 0.298 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 2.478 2.977 -3.061 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 -11.606 28.227 -5.361 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 -15.097 3.479 -13.962 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 -7.504 -4.939 3.719 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 -5.500 -11.490 6.190 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 -16.021 -15.758 -14.577 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 -4.641 3.004 -2.280 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 5.205 -1.904 11.141 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 -8.212 10.074 -4.014 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 2.899 -3.302 4.316 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 -1.520 -2.436 -3.550 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 -1.239 -2.012 -0.956 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 3.478 1.409 2.024 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 0.380 -30.854 29.787 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 -21.613 8.137 31.258 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 0.593 -0.756 -4.772 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 21.375 -23.964 0.894 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 -7.673 9.568 4.822 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 -2.451 2.160 -0.893 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 -12.485 -0.673 16.801 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 2.307 3.056 -24.830 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 0.759 0.592 -0.713 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 -27.753 16.305 -14.158 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 1.565 -0.700 0.914 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 -3.829 0.005 3.568 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 -1.394 10.484 19.629 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 -1.111 -1.584 1.624 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 -6.483 -7.122 -7.939 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 1.890 -1.383 -15.734 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 -5.812 0.353 11.947 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 -0.692 8.814 -2.517 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 -7.213 17.365 -12.252 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 2.377 5.328 3.235 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 -7.470 5.022 0.065 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 0.129 3.828 -6.263 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 0.903 -6.784 3.816 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 -4.455 0.993 -10.719 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 -3.641 -19.350 -21.105 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 -13.199 11.358 5.013 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 -0.031 -1.404 5.061 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 30.017 -23.514 -23.663 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 12.837 -0.991 -30.066 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 -7.253 1.307 -2.648 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 -3.553 -3.143 -12.998 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 1.187 -2.575 6.755 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 3.107 -6.217 -4.088 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 -16.162 -13.220 3.785 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 7.103 -0.032 -12.335 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 4.844 3.034 -2.101 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 5.216 2.937 5.709 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 -1.628 14.446 -10.335 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 1.769 -1.396 6.695 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 2.440 2.719 -9.936 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 9.678 -0.113 17.573 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 -4.929 0.859 5.100 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 2.627 -3.116 5.408 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 -7.633 -4.022 0.597 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 -0.277 -3.372 5.290 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 -12.234 -0.971 12.615 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 14.867 -15.025 4.991 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 1.885 -0.613 8.389 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 0.712 -7.346 -1.471 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 0.691 -7.421 -1.740 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 -2.617 -1.079 6.881 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 1.601 -0.138 19.496 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 -5.025 6.208 -1.339 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 1.819 -2.788 -7.440 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 -26.421 3.899 -23.989 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 7.982 35.527 1.388 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 4.589 1.146 2.265 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 -21.644 11.597 -38.596 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 3.486 -7.304 -21.555 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 2.616 3.270 -0.201 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 -0.753 8.871 -1.871 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 9.582 2.047 -3.641 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 -2.949 -2.959 1.187 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 -1.114 -4.294 5.055 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 1.595 -6.910 -4.706 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 3.704 8.671 0.614 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 16.344 20.072 13.419 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 9.815 15.288 -5.847 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 1.059 -3.694 -1.766 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 1.771 9.602 -1.216 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 10.209 5.394 -8.164 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 0.599 1.157 -7.385 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 -4.634 29.299 -4.514 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 5.308 -11.113 12.419 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 -0.971 -7.665 -0.770 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 4.633 1.657 -10.211 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 3.316 4.949 -19.413 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 1.878 4.529 -3.898 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 0.931 6.774 -9.059 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 -2.767 5.343 2.849 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 -8.522 -3.259 6.829 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 8.406 10.065 -6.107 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 2.368 1.416 -5.390 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 -5.068 -6.225 2.935 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 -21.907 -0.206 10.936 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 15.430 -12.324 -5.823 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 3.095 1.735 6.122 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 25.970 29.255 -5.259 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 -3.299 -14.775 0.964 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 -3.262 1.831 0.718 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 0.351 18.179 -5.258 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 17.213 -2.779 9.001 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 -4.459 1.975 1.422 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 -12.578 0.427 -1.514 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 -11.335 -10.781 15.139 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 0.388 0.580 -2.683 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 -0.400 11.747 3.714 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 -4.162 -10.319 9.395 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 -5.075 -3.042 -0.947 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 -23.990 -1.920 15.989 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 13.477 -8.168 -14.921 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 6.884 3.951 2.004 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 18.940 -6.059 -2.439 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 -23.596 22.143 -3.015 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 -1.754 -5.049 -1.098 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 -11.284 -26.441 6.924 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 11.035 4.080 4.630 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 -2.319 4.146 1.634 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 17.913 -11.317 -11.784 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 4.042 0.573 33.643 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 -7.234 3.888 -1.553 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 -0.657 3.119 -8.262 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 -9.045 -1.167 1.743 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 -2.236 0.819 2.399 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 -1.039 7.841 12.140 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 6.371 15.000 17.117 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 0.956 4.091 1.225 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 -8.535 -5.747 -3.523 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 3.875 -11.728 -14.002 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 -6.199 3.241 4.029 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 -14.214 4.391 -5.126 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 -3.871 -13.427 6.861 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 2.354 -1.860 1.430 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 -6.323 5.441 9.989 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 -11.688 16.696 -3.146 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 3.424 1.375 3.591 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 -32.140 12.722 20.127 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 15.375 -2.612 -0.392 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 2.250 -3.729 -2.606 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 0.076 3.763 6.464 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 -11.794 -13.560 33.203 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 1.012 0.405 0.253 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 2.295 -15.685 3.729 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 -1.795 8.631 0.364 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 -4.222 -4.276 0.530 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 5.942 -0.463 12.535 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 2.829 1.163 -0.307 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 -3.369 4.028 8.593 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 -12.403 2.798 -7.812 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 1.707 7.241 11.392 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 -2.827 3.882 -0.345 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 -6.302 2.285 -9.008 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 -5.673 -12.175 -20.900 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 3.009 0.429 -5.587 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 2.744 10.475 4.242 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 4.146 -8.510 -21.233 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 3.378 -1.756 0.952 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 0.746 3.597 -6.564 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 -11.341 14.003 -7.658 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 0.284 -1.622 2.956 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 -2.562 9.034 4.823 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 13.271 -13.051 -12.083 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 -1.040 1.671 1.639 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 6.107 -8.298 -0.257 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 -8.157 8.245 -9.632 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 -1.621 4.518 -3.643 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 21.728 12.064 -0.577 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 3.128 -10.771 19.976 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 -6.012 -5.369 3.193 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 -1.740 2.786 27.120 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 14.577 -5.254 -17.746 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 2.574 -2.427 -8.721 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 8.247 -6.361 -17.974 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 -0.143 25.305 -6.323 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 6.490 -3.424 -0.927 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 13.996 -6.495 -2.341 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 -10.164 -2.023 9.868 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 1.553 0.317 -3.157 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 13.615 1.628 -15.305 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 13.400 -4.936 7.544 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 2.235 4.086 2.175 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 -4.658 7.488 9.642 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 -5.967 7.874 10.086 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 -0.816 1.271 -1.490 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 -14.638 8.315 -6.615 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 2.339 13.745 14.789 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 -0.353 2.606 5.922 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 -3.006 -3.594 15.583 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 4.217 6.634 -5.127 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 4.197 0.035 1.241 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 3.202 8.740 2.703 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 -0.203 2.475 -3.940 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 0.799 2.863 -6.452 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 11.981 -6.596 5.835 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 -8.337 3.362 -0.763 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 -1.141 4.804 1.851 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 -0.813 17.472 -16.997 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 -1.753 1.514 7.216 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 -0.112 10.052 -10.878 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 -6.137 11.994 0.767 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 -0.946 21.641 -5.270 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 1.568 -4.682 -7.059 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 -15.724 -4.978 0.601 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 0.671 1.642 -3.925 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 -0.183 3.228 7.106 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 3.051 -2.721 -9.735 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 -10.023 16.645 4.308 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 0.662 0.222 -1.016 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 21.648 -2.867 -16.078 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 -28.204 19.393 2.993 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 3.802 0.145 -0.763 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 -0.963 -5.880 26.522 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 -7.224 2.570 1.114 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 5.307 4.566 8.176 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 -4.237 0.310 36.382 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 -20.175 6.152 4.452 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 -4.410 -1.251 -1.743 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 -0.195 -5.767 -5.419 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 -6.406 -0.082 -0.374 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 -1.317 -0.303 4.564 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 -4.866 -3.310 0.210 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 -0.415 -6.239 6.524 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 -3.094 3.706 3.540 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 2.566 -13.891 5.509 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 -12.400 -10.986 0.376 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 4.629 -1.028 2.115 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 -8.399 -15.032 -9.785 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 22.820 1.060 4.199 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 7.812 -1.278 -0.152 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 1.560 -4.166 -2.841 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 10.215 -5.038 9.133 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 2.808 -2.989 2.461 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 3.170 5.454 12.354 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 -15.289 4.527 18.311 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 6.560 2.392 -1.543 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 27.664 27.175 9.450 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 -21.495 0.928 -17.975 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 -2.121 1.467 -2.406 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 -28.501 -1.172 8.047 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 6.112 -22.149 -8.460 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 -2.018 -3.099 2.029 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 -6.851 13.274 -10.901 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 5.920 -7.390 1.731 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 -5.018 -4.911 -8.767 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 -19.246 -1.185 -5.645 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 4.867 -4.252 -14.308 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 1.169 -7.825 -0.839 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 -7.195 -5.187 2.273 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 -1.030 -15.820 15.295 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 -2.904 -1.026 -7.720 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 -10.978 20.955 12.688 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 -7.889 -2.941 -22.283 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 -2.281 -7.901 -5.103 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 6.506 12.362 5.355 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 -16.737 -8.893 -4.110 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 1.962 0.115 3.978 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 13.622 1.433 -9.374 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 -1.612 -2.741 -12.254 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 -1.412 -3.914 -4.533 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 -13.022 -6.892 -10.436 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 17.059 -6.604 4.299 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 -5.051 -0.758 -0.599 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 -6.192 7.836 3.800 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 -3.572 -22.191 -14.382 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 0.324 -5.366 -2.195 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 -24.690 2.693 5.954 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 11.721 19.617 -20.979 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 1.244 1.227 1.336 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 15.230 -4.789 -11.605 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 6.046 -0.939 -2.476 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 -1.860 -0.426 5.111 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 3.663 -12.784 16.088 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 -5.284 7.724 11.291 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 7.168 1.710 4.787 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 -11.402 -5.746 -3.230 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 10.460 25.208 11.826 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 -1.628 1.095 -8.175 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 -12.046 13.327 -7.172 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 12.869 7.419 -19.515 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 -1.913 1.076 0.159 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 3.462 -3.134 7.457 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 -14.373 8.533 8.961 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 -2.379 5.702 -0.110 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 -6.316 -8.345 17.260 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 -4.871 3.691 -5.702 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 3.633 -2.293 -5.765 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 -18.162 7.686 -20.306 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 5.841 -11.130 -20.588 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 1.543 3.233 0.446 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 1.693 13.908 10.527 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 -1.518 -0.736 -8.827 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 -2.268 -7.496 -0.585 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 -3.008 -9.472 -3.918 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 -4.072 -0.905 0.321 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 1.296 -2.759 -2.005 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 28.226 29.752 -33.941 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 -9.273 -9.078 29.153 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 0.762 3.415 -1.379 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 -8.323 -7.189 -3.091 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 4.148 8.277 -14.117 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 7.266 -0.083 1.725 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 7.895 -12.391 3.101 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 23.397 6.109 -13.111 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 1.416 4.736 -4.372 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 -14.391 -22.012 0.074 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 -0.200 13.094 -17.242 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 3.782 1.312 9.040 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 -2.952 4.767 -1.720 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 5.306 -5.018 8.284 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 1.078 -2.193 -1.983 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 23.645 -16.295 -10.650 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 -7.551 -2.876 5.939 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 -3.295 5.756 9.508 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 -4.437 23.680 17.682 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 -3.260 11.934 17.100 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 6.102 1.173 -0.170 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 6.350 5.454 -5.975 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 14.666 -6.793 -1.645 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 1.497 2.608 1.181 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 -14.273 11.150 26.715 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 -5.010 7.790 12.705 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 5.558 1.002 -4.556 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 10.033 -3.117 -8.058 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 6.388 -0.870 -3.781 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 -3.530 -3.893 -4.210 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 6.692 9.358 18.780 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 -5.132 -18.819 -18.135 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 2.346 -4.972 -3.811 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 9.695 -1.211 0.012 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 2.251 -4.030 -3.197 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 1.437 0.497 -0.246 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 14.650 4.508 3.545 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 -30.057 -4.675 -2.280 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 -4.999 1.211 -5.494 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 -2.736 -2.607 3.581 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 2.357 19.153 3.754 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 2.676 4.795 -8.729 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 -0.953 13.294 -4.443 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 5.221 2.220 -9.283 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 -1.241 -2.817 3.608 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 -4.569 -0.803 -2.187 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 -5.463 -5.991 7.022 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 0.219 0.011 0.456 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 -31.051 4.811 -19.355 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 -10.111 1.866 -0.079 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 4.639 -1.648 -4.188 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 26.528 9.292 1.006 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 -16.399 5.229 23.528 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 0.911 5.995 1.655 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 11.154 -6.199 -0.585 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 6.775 3.325 15.243 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 -0.401 -1.474 -5.526 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 -5.705 1.851 -21.754 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 -2.674 0.203 -12.940 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 -1.777 -0.316 -1.435 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 -3.480 -2.644 -2.750 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 11.131 17.297 10.437 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 9.505 0.672 6.070 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 2.148 -7.917 12.115 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 28.746 -31.878 -21.271 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 -4.180 -1.179 -6.066 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 -2.128 8.237 0.456 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 6.351 -7.467 -10.374 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 1.008 -5.985 2.102 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 -14.080 7.708 -3.812 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 10.711 -13.473 7.090 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 -3.543 0.591 -9.186 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 10.304 -21.664 36.412 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 -14.657 -0.470 8.868 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 -2.471 1.723 -2.918 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 -11.664 6.762 6.077 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 -4.065 6.077 -20.815 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 -3.275 6.129 -2.857 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 7.536 -4.139 -4.812 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 -8.176 1.113 -3.780 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 -2.052 2.178 -8.525 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 -2.496 10.567 -2.380 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 3.941 -3.929 -6.554 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 -8.901 3.114 -10.016 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 12.199 -13.313 19.548 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 28.315 -16.938 15.902 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 5.049 1.308 -1.160 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 10.674 -11.170 -3.539 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 2.865 8.140 10.388 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 -1.097 -7.835 -3.579 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 -11.094 -6.743 11.342 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 -2.009 14.548 1.238 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 3.819 -2.014 3.378 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 -0.865 -3.926 24.185 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 -2.868 -7.092 -2.456 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 0.974 2.964 -4.092 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 0.171 -16.829 -5.467 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 -13.211 -16.165 -3.142 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 1.796 -6.459 -5.346 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 -6.108 -14.101 4.717 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 2.578 -10.597 0.006 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 3.793 5.976 -3.304 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 6.500 17.600 2.554 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 6.928 3.789 1.474 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 1.706 9.949 -0.773 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 11.657 11.506 6.742 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 2.826 -2.048 -5.009 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 10.032 2.468 0.101 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 21.440 7.483 0.900 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 2.839 -4.603 -1.071 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 1.845 -0.590 4.132 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 10.406 18.839 -5.034 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 0.214 -9.615 8.719 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 2.509 3.012 -1.046 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 -0.821 5.934 -0.845 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 -2.844 7.982 -0.091 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 -1.055 -3.548 -3.701 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 11.962 7.865 -33.894 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 29.038 -27.410 -15.151 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 6.801 0.759 0.225 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 -5.870 7.551 3.424 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 8.736 -9.579 5.212 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 0.947 -5.274 -3.257 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 7.519 -1.443 -8.456 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 -6.510 -4.845 -11.021 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 4.067 7.692 0.895 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 -7.147 4.551 -3.577 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 20.029 21.160 7.206 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 2.711 -0.313 -6.944 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 -1.683 4.480 14.346 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 4.893 -2.376 20.966 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 8.121 1.755 0.961 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 -4.141 3.784 -4.276 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 -21.180 12.183 -5.600 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 2.007 0.636 3.267 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 7.633 -19.536 13.683 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 -4.680 12.012 -10.283 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 -1.170 0.183 3.396 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 -1.810 -1.806 8.942 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 4.168 4.632 -8.634 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 -3.792 7.943 -4.936 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 -13.045 9.983 -3.213 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 5.982 5.718 -6.646 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 4.096 -0.243 -2.189 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 3.482 -11.726 -6.107 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 16.813 -12.462 -4.946 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 4.649 -3.547 5.335 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 -5.953 -0.615 12.558 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 -35.774 10.919 -0.301 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 4.356 10.124 -7.758 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 2.368 9.466 0.708 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 15.721 3.217 -5.697 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 -2.109 -4.982 -8.120 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 -7.614 -1.392 -23.243 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 15.904 5.795 9.908 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 0.234 -6.694 -2.418 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 24.493 7.712 10.799 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 -4.683 -8.609 -19.621 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 4.307 1.232 -3.006 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 2.415 2.367 -6.149 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 2.733 -1.932 -1.663 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 7.009 2.589 -2.658 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 -0.444 17.437 9.918 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 2.619 -10.957 1.110 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 -4.098 0.901 2.069 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 -7.157 3.938 8.464 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 -1.670 18.607 7.024 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 -5.749 -5.254 -0.074 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 -8.271 -10.291 5.506 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 -19.028 -11.934 9.241 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 2.591 -3.920 -0.997 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 9.306 -23.620 6.544 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 7.592 -19.330 2.689 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 3.974 3.802 -0.546 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 10.027 8.290 13.264 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 -0.521 0.739 -10.627 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 -1.734 1.403 4.470 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 0.503 3.873 -12.358 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 16.232 2.784 -23.228 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 3.505 1.080 1.437 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 1.175 8.434 -8.295 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 -9.678 0.242 -6.218 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 2.768 0.301 -0.675 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 3.060 2.718 2.556 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 1.640 4.654 -4.684 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 0.429 -7.331 -0.900 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 4.364 -5.116 7.108 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 7.790 12.835 10.669 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 -3.561 -0.277 2.219 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 13.098 7.747 32.152 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 -18.428 -5.628 -22.426 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 0.189 -3.121 -5.519 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 -18.900 4.412 5.917 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 -9.057 -16.772 4.108 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 -3.271 1.643 -0.009 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 -17.914 1.760 13.193 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 -10.223 -0.607 5.664 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 -6.999 -5.369 2.051 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 -17.274 30.688 -7.566 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 -23.581 -12.083 -8.756 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 3.079 -0.700 8.475 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 -11.181 -10.610 -9.657 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 9.434 -1.470 21.234 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 -5.071 2.996 7.913 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 -5.554 25.075 6.776 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 -24.005 1.889 5.152 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 -2.066 -0.727 -4.860 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 13.784 10.802 -17.235 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 -14.043 -2.482 4.033 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 8.365 3.538 -1.887 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 4.929 5.785 -1.437 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 11.613 -1.345 0.016 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 3.832 0.611 -3.742 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 6.638 -20.746 -17.976 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 -18.223 1.094 -0.654 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 3.731 -3.130 2.284 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 3.065 5.646 -13.901 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 -10.380 -6.448 14.812 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 -0.270 -4.833 4.420 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 -11.122 6.402 0.405 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 -2.053 21.248 17.895 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 2.744 -4.767 5.953 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 0.526 -25.356 -19.270 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 12.935 25.076 4.930 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 -1.262 -2.052 3.539 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 -11.663 8.022 14.676 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 3.319 1.825 -0.376 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 1.459 8.752 -4.671 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 -6.754 -2.521 -21.841 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 16.345 -21.048 1.633 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 -7.012 -4.075 10.281 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 -9.192 0.824 17.240 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 19.253 -1.591 -2.462 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 2.857 -4.678 -3.680 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 27.675 7.943 -11.510 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 -7.460 -11.157 8.545 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 0.779 0.080 -5.060 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 -2.296 -3.020 -17.012 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 -3.413 25.954 9.943 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 2.953 -7.208 -0.208 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 0.038 -0.734 11.742 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 -3.904 9.159 -5.267 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 -0.255 -4.025 2.278 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 1.174 -6.435 5.302 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 1.207 -6.605 2.015 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 7.265 -0.382 -5.215 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 17.536 -5.662 -8.806 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 -0.842 -8.359 -10.758 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 -5.749 -3.881 1.191 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 5.579 -5.504 1.853 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 31.612 5.301 -8.288 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 -5.274 1.318 7.654 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 -26.319 4.171 -5.365 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 0.566 -8.433 14.492 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 -4.237 -1.397 1.008 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 -10.153 -6.381 -5.886 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 0.685 1.188 5.139 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 4.452 -1.746 0.265 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 -5.703 -5.233 4.660 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 -11.914 6.791 -1.835 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 -7.774 -4.670 0.251 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 12.094 -11.163 -9.858 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 -19.977 7.722 -17.131 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 -3.221 4.584 -2.864 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 -0.224 7.037 -0.127 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 -1.149 5.079 -6.990 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 -0.260 -5.514 -2.831 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 6.908 6.582 12.564 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 5.865 -2.732 -18.272 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 -5.477 2.983 0.100 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 7.556 -19.524 22.173 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 -16.673 12.809 -3.381 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 0.374 -2.235 5.168 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 5.753 2.512 -3.074 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 -10.751 13.278 -4.292 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 6.671 2.202 -5.801 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 5.971 12.136 23.742 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 7.360 -2.460 -19.500 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 -2.335 -0.642 -2.073 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 -8.622 1.577 0.184 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 14.678 -10.142 -10.148 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 -5.972 -1.869 1.950 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 -5.713 1.582 -12.582 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 -23.707 1.087 -4.844 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 -2.862 5.179 3.782 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 12.812 9.465 1.528 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 -14.211 7.135 26.811 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 -1.027 6.086 0.043 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 -2.708 8.384 31.177 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 19.142 -13.506 -8.344 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 10.346 -3.735 -2.287 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 7.746 3.594 1.691 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 -6.442 13.616 16.173 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 -2.756 -5.528 1.080 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 -3.737 -7.808 -26.630 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 -22.643 19.551 -26.638 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 5.404 2.012 -2.799 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 2.989 1.217 -0.168 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 3.140 1.044 4.072 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 4.006 -4.403 -3.607 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 29.152 -3.170 -14.529 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 6.447 9.994 22.182 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 0.058 5.846 2.322 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 -0.651 0.676 0.481 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 -3.865 3.749 0.549 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 -8.799 -5.054 -5.083 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 6.718 -32.169 -10.673 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 -11.811 11.297 -12.556 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 0.125 -3.104 4.046 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 -16.571 8.095 -11.776 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 32.046 20.749 -21.878 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 -0.152 5.148 8.618 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 1.111 4.077 11.017 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 2.461 9.810 8.497 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 -0.702 -3.829 6.079 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 -15.788 16.613 -17.956 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 8.136 -0.310 25.887 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 1.945 -1.019 5.260 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 3.331 -8.559 11.742 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 -0.304 9.027 13.462 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 -6.155 -1.805 1.615 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 -9.523 -10.512 5.629 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 -13.987 2.110 -4.345 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 -2.362 -0.701 -3.792 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 -3.335 -2.096 0.919 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 -3.012 -1.484 -0.701 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 -0.328 4.778 5.974 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 -4.447 15.221 -5.276 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 -12.841 -3.600 3.530 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 2.635 0.559 3.534 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 -10.520 -6.143 1.601 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 2.119 3.867 7.845 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 0.810 -6.242 -6.762 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 2.230 9.967 -14.373 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 -0.358 3.323 5.698 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 8.959 -3.191 -8.069 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 -4.146 -8.351 6.191 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 -6.188 -10.562 9.522 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 -6.631 2.045 -0.644 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 24.805 5.628 -4.955 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 -4.342 9.660 -8.148 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 -3.985 -3.755 -3.293 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 -9.866 18.333 4.270 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 -11.522 -28.666 -0.440 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 -0.830 3.618 3.030 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 0.261 0.981 2.148 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 25.117 -13.168 -17.578 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 -2.580 3.009 -6.599 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 5.996 -3.947 6.050 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 -13.893 17.875 -18.124 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 5.391 0.249 0.031 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 -2.106 -4.066 20.368 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 4.762 -3.220 9.209 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 0.052 2.749 1.215 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 -12.121 -9.130 -8.004 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 28.801 -7.912 -3.394 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 -2.930 -5.000 3.596 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 -9.179 35.937 15.637 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 9.614 -1.186 -1.839 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 1.367 1.795 -1.532 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 32.108 14.683 9.168 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 -7.873 8.347 -5.126 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 -8.798 0.392 -1.262 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 -17.875 -3.777 9.305 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 -1.446 5.331 -9.333 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 -6.685 3.863 8.356 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 -9.327 21.546 -6.341 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 -16.623 20.722 -17.588 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 6.157 -1.662 -2.198 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 12.896 -6.594 -8.583 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 -7.552 -3.187 14.861 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 1.827 -4.509 -2.929 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 -6.882 4.580 12.891 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 21.228 -20.357 29.933 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 7.078 -1.352 -3.728 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 11.939 -13.892 1.535 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 -7.952 7.398 8.820 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 -1.685 -1.298 2.388 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 16.528 -3.081 -4.958 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 18.692 -1.508 -2.239 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 5.753 1.691 -5.882 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 -17.344 -11.498 -9.280 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 16.252 5.086 -6.157 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 0.271 -0.839 -4.517 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 5.994 -7.153 -7.337 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 -1.160 9.079 -17.940 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 -1.480 1.187 1.208 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 11.117 0.201 0.296 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 -7.209 -11.340 6.085 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 5.990 -3.618 -0.896 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 12.874 3.300 2.350 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 12.712 14.276 -0.041 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 5.631 3.672 1.647 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 8.045 25.259 8.898 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 -11.405 -0.556 -10.885 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 -1.626 -2.093 -2.807 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 -10.703 3.727 -9.774 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 5.016 -18.162 22.941 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 -1.125 7.292 -3.830 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 -7.813 23.726 3.490 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 12.236 12.059 -20.455 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 3.329 -3.977 -5.969 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 -3.932 -27.140 -12.532 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 28.011 -15.187 -1.071 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 -4.158 5.327 3.572 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 -8.143 14.543 -16.333 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 15.223 12.963 13.635 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 1.431 0.598 0.170 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 -13.790 -14.472 -2.236 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 -7.117 -19.633 -13.073 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 -1.058 -7.134 -2.035 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 4.794 4.263 8.437 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 -13.217 -4.467 5.403 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 0.998 -3.674 2.466 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 14.398 -29.323 -7.678 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 -21.375 -2.327 14.268 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 -1.762 -2.268 -6.680 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 -1.026 -3.170 -7.333 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 -1.743 -5.186 -7.406 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 5.019 0.817 -2.112 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 10.839 -4.217 -3.399 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 -1.108 -4.039 2.206 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 -8.350 -1.694 -5.422 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 -3.311 -7.776 19.254 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 13.798 -10.221 -35.301 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 2.292 0.734 -3.989 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 27.864 4.799 3.572 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 16.936 11.603 -5.772 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 0.980 1.674 7.126 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 -17.505 15.662 12.310 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 -17.461 16.766 11.719 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 0.458 0.873 -4.635 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 8.890 -6.162 -3.728 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 19.917 -5.055 9.233 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 -0.478 -0.291 -2.619 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 -10.548 -11.268 -3.019 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 12.616 -11.650 -21.965 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 -1.060 0.081 6.515 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 -14.419 -8.181 -3.544 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 16.855 1.355 -1.907 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 6.947 1.037 2.833 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 14.511 6.963 11.162 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 9.614 -5.786 5.544 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 -0.198 -3.521 -6.112 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 -24.413 1.839 15.148 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 -4.595 11.938 -16.546 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 4.039 2.225 4.804 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 7.168 -2.566 -11.740 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 10.724 -7.183 16.396 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 -2.747 0.433 6.361 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 4.615 -5.598 1.041 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 2.258 -1.159 15.557 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 1.336 -2.013 4.590 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 -1.503 25.083 23.059 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 -8.133 22.968 22.152 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 3.280 -3.679 2.408 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 -14.684 -14.178 10.884 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 -13.848 -3.320 7.545 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 -0.113 1.924 6.267 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 15.968 14.872 14.313 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 -7.838 -6.510 18.890 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 1.042 -0.538 0.351 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 -0.058 -5.911 -1.629 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 9.495 -1.243 1.933 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 3.681 2.448 -4.180 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 -15.787 10.706 -4.289 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 30.631 10.561 17.546 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 0.491 1.874 1.649 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 0.300 8.521 21.769 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 -8.228 -4.927 1.553 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 0.724 4.014 1.048 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 -20.465 -4.241 23.503 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 -8.936 2.402 3.883 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 1.177 -3.372 -4.340 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 2.501 13.840 6.394 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 2.648 14.195 4.261 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 -0.154 -1.471 -2.238 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 5.093 -1.397 5.829 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 6.213 3.985 -3.254 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 3.945 2.751 5.463 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 -19.501 -15.360 -2.695 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 22.043 -7.060 -11.771 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 -2.911 -3.126 0.229 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 22.970 -0.651 -18.100 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 -12.852 -8.025 3.977 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 3.522 2.105 -2.706 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 2.585 -0.003 9.986 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 -20.349 11.907 -21.480 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 -4.342 0.758 5.918 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 5.888 -13.232 5.592 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 0.117 -8.402 8.553 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 -6.327 -4.196 -2.245 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 -6.025 -3.583 -3.499 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 -26.537 3.554 3.765 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 4.516 -4.468 -2.227 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 2.964 -7.418 1.737 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 8.734 6.053 24.550 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 5.251 -7.842 -5.060 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 0.576 -24.897 -6.739 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 14.888 9.824 -2.991 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 5.144 0.643 5.417 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 16.362 7.680 16.405 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 4.734 0.119 -10.359 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 3.926 -1.169 2.360 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 13.735 -5.210 -8.038 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 14.139 8.264 29.041 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 -1.594 -2.135 -1.091 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 -11.537 -8.632 1.314 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 7.801 8.465 -1.892 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 -5.919 -0.723 3.779 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 0.040 28.644 5.243 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 -6.559 -4.465 2.937 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 -5.315 -4.308 5.295 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 4.041 -9.675 10.067 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 -5.879 -9.064 1.502 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 -3.274 -1.877 -0.709 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 14.239 -0.981 -18.192 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 9.199 -13.231 10.548 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 -2.389 5.563 7.897 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 13.966 11.846 -8.161 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 -1.325 -11.201 28.641 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 1.691 -0.134 4.889 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 -13.749 -18.469 1.377 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 -22.225 21.802 -29.045 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 -1.308 2.602 -8.562 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 -17.789 9.199 -10.310 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 -2.007 -7.150 21.745 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 0.459 -1.719 0.679 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 50.112 17.578 -13.571 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 -7.911 -2.366 7.562 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 1.588 7.035 0.473 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 2.409 2.338 -10.000 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 12.545 5.969 -2.659 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 -4.256 3.392 -3.364 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 -5.747 10.157 -6.447 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 -7.374 -0.080 -6.271 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 -1.010 -1.440 4.153 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 -4.245 -6.856 -0.793 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 -7.361 6.750 10.842 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 0.361 -0.048 5.605 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 -4.449 6.916 25.601 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 28.026 -2.030 -17.035 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 4.057 -4.548 5.417 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 1.502 6.139 6.767 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 10.648 3.982 19.230 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 1.052 4.454 -5.980 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 13.352 -19.137 -16.270 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 -5.272 4.980 1.117 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 1.346 -4.151 2.728 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 16.574 0.881 -8.295 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 -25.191 10.422 -4.803 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 2.094 -0.691 3.759 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 3.183 -16.337 -4.696 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 -4.752 8.909 2.388 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 0.930 -0.417 -1.863 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 9.067 -23.371 18.686 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 -6.178 7.300 38.164 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 -1.840 0.323 1.720 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 -4.353 0.205 -1.040 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 -10.913 -5.098 -3.765 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 5.682 3.271 1.724 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 13.666 -11.666 28.963 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 -23.910 -6.432 -3.066 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 -1.131 -5.852 4.996 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 -12.377 -10.097 10.609 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 9.096 -12.592 9.720 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 -0.882 -4.567 -0.645 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 -9.514 1.810 0.946 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 -17.317 18.002 13.861 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 10.125 2.770 0.728 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 20.384 23.793 4.499 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 9.435 0.199 -22.225 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 -2.014 -1.208 0.543 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 -8.033 -8.604 3.900 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 -8.191 4.919 -4.177 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 -2.035 -4.177 -2.573 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 -4.749 -16.571 6.536 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 -19.965 -2.662 5.215 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 -7.002 1.282 1.588 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 12.899 -3.463 -15.754 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 -6.672 -2.236 -4.680 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 2.043 -3.974 4.593 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 11.950 -5.421 0.754 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 0.542 -12.558 20.659 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 4.930 0.586 1.379 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 1.255 -6.522 2.554 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 9.808 -1.057 -5.988 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 2.063 0.174 5.407 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 -4.020 20.673 -8.671 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 9.535 4.647 4.793 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 0.578 6.617 -2.610 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 4.005 -2.791 -0.773 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 9.874 -21.348 2.355 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 -5.943 -4.862 1.647 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 -0.096 0.252 11.191 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 -14.200 -16.083 0.883 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 3.608 -3.508 0.916 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 -10.031 -7.456 -20.693 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 -9.679 14.571 14.233 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 4.889 -1.316 4.028 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 3.540 -2.439 2.207 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 1.041 -4.121 5.706 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 1.643 -1.660 -4.182 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 1.223 12.577 24.036 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 -12.150 13.125 -19.370 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 3.618 -4.779 0.134 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 4.567 -6.271 2.532 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 -1.115 -8.178 33.169 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 -1.014 -4.608 2.905 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 -28.308 1.664 22.361 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 25.638 5.962 -21.502 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 -3.909 4.018 -2.255 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 2.430 -10.837 19.827 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 -16.458 -2.465 -6.030 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 -4.591 -1.791 -0.193 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 3.451 -8.408 12.707 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 22.802 -21.229 4.587 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 -2.782 5.391 -1.968 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 -6.197 9.378 9.288 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 -7.107 -5.743 -2.775 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 -0.149 1.512 -1.037 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 -6.921 -9.708 -23.173 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 10.424 -8.382 -3.464 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 2.769 1.810 4.669 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 -2.433 -7.593 14.857 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 2.673 -1.214 4.322 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 1.042 1.013 3.631 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 8.801 11.242 3.192 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 -22.017 -2.707 9.268 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 -7.398 1.752 -9.045 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 -5.209 22.489 -12.809 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 3.989 9.209 1.702 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 -1.997 -1.493 3.734 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 0.150 -1.088 7.453 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 -14.953 3.087 -33.597 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 0.322 4.940 -3.741 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 2.169 -4.259 4.862 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 1.040 -13.383 3.774 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 0.183 0.753 3.810 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 -6.803 -6.871 0.009 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 2.144 -0.976 1.461 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 -0.870 1.705 4.698 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 -1.164 7.684 0.483 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 4.638 8.858 -3.037 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 8.685 -4.501 -1.178 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 -1.393 1.862 -3.408 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 0.405 -7.125 2.746 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 -1.269 2.341 5.372 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 -4.651 3.248 0.012 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 -5.923 -0.899 14.626 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 1.319 3.798 -5.471 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 -9.204 3.824 -17.620 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 -20.707 17.420 -2.350 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 -5.644 4.799 4.832 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 7.061 7.019 7.458 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 -25.615 11.162 -0.264 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 -2.655 -8.114 0.280 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 -19.254 6.701 3.473 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 -15.747 -8.279 28.339 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 7.146 0.814 0.097 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 4.431 -11.963 3.816 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 -7.308 9.781 -5.305 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 2.321 -5.119 -3.091 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 -12.574 -6.752 4.190 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 2.589 13.765 -3.254 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 2.031 -3.556 -0.787 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 -2.249 -3.115 1.947 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 -2.818 -0.650 1.299 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 2.295 0.458 0.927 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 0.250 1.815 4.995 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 -18.883 9.794 -4.748 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 -2.212 -6.082 -1.430 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 -3.513 -7.178 3.805 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 0.422 17.628 -12.324 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 -1.215 0.126 -4.333 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 14.120 18.057 3.736 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 21.038 25.839 7.685 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 1.067 -6.079 -2.704 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 -17.845 11.986 -5.316 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 -17.053 23.979 9.940 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 -0.720 -3.241 -1.512 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 4.147 5.433 -1.308 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 -5.641 4.105 24.622 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 -0.946 -2.843 -0.653 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 0.567 -5.302 3.744 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 -0.493 -7.518 13.497 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 1.488 -2.019 0.542 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 -5.810 8.502 -15.171 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 -7.803 3.841 13.681 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 0.211 -0.735 1.300 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 -1.593 -2.818 0.797 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 6.467 9.657 1.167 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 0.717 5.796 -11.395 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 -6.435 -0.780 1.571 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 4.978 -10.163 18.864 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 -3.981 -2.637 1.225 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 6.068 8.836 -10.300 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 5.612 -1.842 -14.327 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 -3.594 2.324 3.573 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 7.560 20.084 -11.603 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 -12.479 -12.407 -21.866 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 0.452 -5.075 -2.703 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 -9.601 -12.845 -18.240 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 5.543 -6.268 -7.458 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 3.455 -2.876 -5.102 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 11.602 13.882 5.121 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 12.879 9.277 -3.316 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 -4.898 0.954 1.365 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 -6.046 -0.728 2.007 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 -8.008 -10.259 5.894 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 1.596 0.076 6.780 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 10.013 -7.690 -12.691 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 2.441 -24.398 -16.261 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 1.159 0.389 -8.812 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 -11.576 13.605 -27.771 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 -9.499 -0.367 8.457 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 4.602 -2.313 2.964 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 16.677 -14.239 6.532 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 -5.336 15.247 -6.641 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 -5.704 -1.218 4.124 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 -5.436 -1.184 1.951 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 -23.767 -11.073 -1.426 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 1.498 2.001 1.221 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 -8.347 -16.241 -6.161 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 16.809 20.054 29.396 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 -2.818 -1.880 4.550 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 20.581 7.708 -10.232 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 -0.388 -34.213 1.969 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 3.859 -5.641 0.090 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 11.561 3.917 11.464 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 -1.846 -9.379 -5.554 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 0.566 -2.334 5.161 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 -18.882 -11.605 -33.490 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 -1.703 -14.469 -17.597 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 -2.612 -3.719 -1.998 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 7.453 -15.030 12.971 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 5.039 15.935 -7.887 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 1.199 -0.025 0.740 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 12.170 -7.941 14.951 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 -19.999 -18.124 2.767 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 0.525 5.327 0.887 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 8.184 0.630 12.712 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 -15.998 -3.335 4.043 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 -0.233 -5.266 3.604 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 -7.223 26.286 9.723 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 -3.483 -10.685 -3.332 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 -1.467 -7.650 1.306 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 -1.470 -0.941 -12.145 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 5.840 -13.221 10.780 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 -7.801 3.588 -2.970 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 16.690 11.737 -17.140 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 -12.242 -5.431 -20.478 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 -2.456 -1.201 -2.249 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 -17.285 1.221 10.704 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 17.303 -1.258 -20.812 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 6.236 -3.520 2.955 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 3.681 6.766 3.735 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 -10.058 10.162 8.897 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 -0.580 -0.394 -4.775 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 -1.879 -5.973 -23.525 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 -2.957 -0.637 13.589 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 -2.082 2.209 -1.692 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 -17.851 -0.511 8.852 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 -5.025 -8.955 8.446 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 0.545 -0.378 2.836 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 5.304 -2.517 3.953 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 1.166 3.188 2.603 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 4.076 -1.517 -3.257 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 2.113 -11.864 -7.793 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 3.624 -3.657 -1.661 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 -4.171 0.682 -7.154 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 -11.691 -15.552 -8.791 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 -0.878 -1.930 -5.418 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 2.653 1.159 -0.679 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 3.388 -0.136 1.857 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 -9.437 -3.598 10.744 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 -0.309 -4.722 -2.888 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 -8.256 17.154 -3.415 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 34.890 5.784 7.544 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 -5.441 0.033 6.037 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 -1.282 -4.713 -2.104 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 -1.323 -5.945 -2.727 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 -7.688 -3.694 2.734 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 -23.403 -0.322 10.122 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 -10.474 -15.876 7.854 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 0.663 10.762 2.626 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 -7.124 -5.811 11.303 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 -3.496 -15.927 -22.028 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 5.200 2.745 -2.902 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 -12.310 -4.077 -9.128 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 -31.819 5.524 -0.602 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 5.245 -0.209 0.202 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 -3.276 -8.829 -2.001 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 -15.081 -19.602 -4.553 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 -1.002 1.286 0.274 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 14.884 -4.300 1.214 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 -15.301 14.373 -3.724 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 -5.168 -0.308 -2.634 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 -11.375 14.106 -6.394 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 6.230 -33.718 7.069 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 -11.277 -7.078 -2.274 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 -4.106 -9.252 12.815 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 -9.530 -5.040 4.020 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 1.319 3.037 -4.535 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 8.236 4.068 -1.315 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 -10.530 11.239 7.966 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 -0.386 -6.094 -9.218 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 -3.595 -2.336 0.645 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 -2.939 -8.330 -12.164 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 0.659 -6.242 3.224 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 23.263 -1.002 -9.713 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 22.470 -7.493 -0.994 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 -1.904 2.654 0.515 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 -15.043 34.277 1.145 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 -0.862 11.644 0.514 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 -3.224 0.545 -2.806 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 2.212 -15.492 7.891 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 -8.941 -15.945 6.025 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 -0.718 -0.424 -0.468 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 1.914 -4.278 -4.107 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 -5.163 2.015 -10.274 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 -2.795 2.261 0.652 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 9.884 -3.042 0.474 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 2.294 0.352 -0.314 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 -2.194 -9.041 3.503 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 7.742 10.080 -5.424 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 18.129 11.296 -21.117 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 2.994 -0.960 1.442 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 2.843 3.125 7.823 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 -0.945 1.462 -2.241 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 4.102 2.392 4.313 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 13.816 6.980 0.902 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 -0.160 -32.493 7.973 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 2.324 3.018 0.414 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 -7.817 18.043 18.325 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 -6.989 -6.639 6.383 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 6.869 2.059 1.262 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 5.407 11.913 3.439 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 -3.079 8.511 -4.377 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 3.299 10.802 -4.838 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 5.140 2.178 5.959 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 17.924 8.626 -0.357 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 1.435 -4.769 1.355 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 -2.352 2.928 -22.278 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 -12.807 22.886 -19.685 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 6.144 -0.700 -0.881 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 -30.262 -12.009 19.628 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 -23.164 -0.297 -29.646 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 -3.228 5.140 0.424 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 -0.876 7.218 6.282 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 5.022 10.296 12.504 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 0.902 3.279 -5.128 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 -9.228 3.440 2.702 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 -21.352 3.286 11.852 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 -4.068 5.522 0.777 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 -1.968 -18.142 -0.640 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 7.851 17.747 -1.443 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 -0.294 -3.786 -2.088 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 -20.430 12.704 -12.557 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 10.366 -9.591 -5.095 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 5.923 5.722 3.477 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 9.590 -8.182 -7.991 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 -0.667 7.314 -2.997 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 3.193 0.802 -3.813 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 14.040 -11.137 -10.833 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 2.475 7.312 -12.854 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 1.924 5.493 1.793 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 -10.956 -8.935 6.227 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 11.237 -14.730 6.785 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 2.505 -2.903 -7.650 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 -6.162 2.342 -9.433 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 -21.727 8.223 -13.081 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 8.013 8.624 2.975 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 8.626 19.488 -8.394 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 6.877 10.212 -13.699 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 5.233 10.626 -0.340 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 -6.705 3.798 7.116 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 14.187 10.972 -6.604 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 -3.572 -8.878 1.643 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 -13.160 -16.063 26.661 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 -3.787 -7.572 5.749 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 -6.755 0.775 2.599 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 -14.216 11.560 8.993 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 -0.956 10.421 -1.371 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 1.107 -7.546 1.307 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 -8.320 13.386 3.440 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 14.843 -1.047 10.525 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 4.199 -6.713 1.845 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 -5.346 -6.170 10.341 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 15.656 -15.374 3.131 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 -1.762 -0.516 3.588 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 -5.400 -12.188 16.452 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 2.220 -13.610 9.355 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 3.848 2.841 1.483 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 6.602 -8.162 11.090 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 -1.335 4.618 3.538 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 5.543 -2.008 -5.293 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 9.767 -1.557 5.739 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 -4.377 -11.058 10.941 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 -5.825 7.438 -3.151 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 -13.718 6.800 -7.271 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 2.173 27.250 -8.632 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 11.312 8.139 -0.257 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 -3.623 2.066 3.776 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 17.585 10.583 -0.948 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 10.139 -1.516 -3.872 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 2.019 3.106 -16.083 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 20.816 4.467 -4.643 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 6.238 -4.063 2.969 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 10.095 -4.414 -8.912 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 -0.001 -9.468 10.422 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 0.405 2.970 0.144 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 11.586 -3.146 -8.283 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 -6.715 -8.608 4.425 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 -3.051 6.840 0.615 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 -1.986 9.901 4.466 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 -3.936 2.847 -4.795 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 -2.453 6.928 0.559 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 0.224 8.571 0.985 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 -10.780 19.044 9.776 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 3.162 -2.904 -3.645 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 15.567 -4.203 -21.847 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 16.978 -4.716 5.119 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 0.522 1.280 -6.578 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 24.446 -0.508 -23.072 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 -11.371 12.714 -2.174 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 5.826 4.261 -1.195 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 10.177 -3.969 -12.612 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 9.244 -5.033 -11.116 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 -4.474 -2.016 -5.391 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 -4.380 0.829 -5.308 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 -5.797 -0.485 -10.175 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 -0.656 -8.046 3.699 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 -2.415 12.474 11.630 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 -2.637 8.471 10.462 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 4.359 -0.604 -2.456 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 0.724 -3.384 -16.836 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 12.641 4.441 2.068 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 -1.792 8.442 0.704 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 -30.189 -0.897 -5.042 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 -13.001 26.682 11.276 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 1.390 6.318 -2.283 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 1.621 4.756 -1.288 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 -0.431 -9.483 -0.130 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 3.211 -2.075 -2.682 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 3.197 6.510 -10.814 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 1.767 -6.979 1.603 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 -3.056 -4.427 -0.648 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 -0.941 2.720 -0.750 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 -8.017 -27.427 1.268 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 1.523 0.786 -4.913 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 -3.433 -9.145 -20.882 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 10.357 -0.296 6.727 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 5.968 -5.555 0.226 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 10.291 1.820 9.254 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 -9.538 -15.481 -7.022 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 1.360 5.439 2.024 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 -3.057 -3.519 6.881 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 12.850 3.961 -21.592 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 2.740 1.807 -0.812 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 -19.551 -3.167 -15.390 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 -0.519 -2.791 -13.584 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 -4.996 -4.460 -1.624 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 -5.631 4.488 -10.852 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 -1.733 -2.332 -6.407 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 -2.467 3.075 5.825 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 -7.654 17.722 -16.633 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 -17.199 15.537 -12.839 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 -9.005 0.211 -4.295 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 -6.484 -7.341 -9.691 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 -13.216 9.643 -25.099 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 2.257 -3.001 -2.958 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 4.047 -2.576 5.482 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 1.566 -9.084 -12.219 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 0.014 5.545 2.470 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 8.188 8.108 2.839 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 28.141 12.102 -11.019 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 4.499 -4.381 -3.215 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 11.351 -11.092 -5.524 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 11.509 -8.380 -3.761 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 1.277 -1.934 -6.088 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 18.084 -6.535 4.891 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 -1.167 4.923 -2.161 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 -1.117 -2.012 4.048 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 9.710 -15.959 6.967 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 -4.061 3.628 3.118 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 -3.019 -1.313 0.692 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 -12.030 1.708 8.424 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 -1.589 -1.060 -1.340 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 0.740 -0.184 7.400 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 -4.780 14.515 -6.720 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 -1.509 6.645 12.825 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 2.150 -0.582 2.178 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 -15.844 -4.420 3.809 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 9.442 -16.249 9.942 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 -2.702 -0.061 -4.905 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 3.851 -4.175 2.152 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 1.521 -13.032 -6.563 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 1.515 -2.810 -3.999 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 -7.905 -5.306 1.879 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 -2.604 4.427 2.429 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 -3.429 3.818 0.630 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 -1.560 3.394 -1.758 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 -5.509 1.490 0.447 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 6.620 -0.663 3.910 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 -0.815 13.424 7.149 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 29.399 -10.592 4.429 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 6.582 6.999 -3.278 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 1.888 -7.244 -10.474 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 2.703 17.111 -5.642 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 -0.544 3.900 -5.595 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 9.057 7.120 -18.479 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 -2.497 5.809 -6.699 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 0.827 -3.528 -0.817 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 -9.405 14.992 -10.725 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 24.203 14.242 -8.636 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 -2.019 5.150 -3.141 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 -17.121 13.225 10.885 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 13.310 -3.929 -32.414 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 -0.986 -2.633 -1.755 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 -1.050 -3.487 0.464 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 -6.219 -7.786 1.710 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 0.600 -0.420 -3.059 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 9.289 11.643 -1.504 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 -0.184 -8.381 0.932 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 4.040 -1.254 -2.402 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 -4.019 -4.472 -27.265 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 7.148 -0.178 27.277 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 -1.052 -2.508 1.678 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 5.677 -8.234 -5.773 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 6.585 -11.460 -9.297 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 -2.040 -2.075 4.082 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 0.979 -7.137 7.050 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 -7.339 -4.857 -2.623 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 -1.661 6.094 -1.993 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 20.148 3.044 2.912 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 -3.492 11.124 -29.163 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 -2.538 -5.470 4.115 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 10.322 -9.922 -19.599 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 2.444 -1.680 -16.785 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 1.210 -4.167 4.882 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 -5.619 -8.097 5.443 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 3.636 5.572 -3.105 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 0.480 -0.755 -0.463 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 -1.880 -2.645 -8.188 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 0.354 0.957 1.736 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 1.247 -6.543 1.311 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 -0.290 -7.712 0.517 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 -24.050 -19.561 -2.789 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 -1.540 -5.014 0.226 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 -7.783 7.715 14.310 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 -13.117 -8.809 -6.488 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 -3.964 3.053 -2.214 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 2.691 6.430 -11.751 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 -20.724 -3.949 4.634 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 1.086 2.645 -3.852 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 7.498 -7.243 -7.926 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 -28.814 -5.938 -9.917 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 5.419 -6.967 -6.925 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 -2.555 -7.926 -25.182 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 5.225 13.647 -2.414 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 5.018 0.479 -5.829 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 13.931 -1.557 16.249 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 9.315 2.713 38.556 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 2.084 -8.079 0.842 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 -7.072 -7.909 -0.105 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 -14.349 10.478 -11.889 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 9.111 -3.652 -4.406 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 -15.218 -6.321 52.019 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 10.739 0.302 -22.074 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 4.883 -3.720 0.344 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 5.052 -8.565 5.228 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 -0.429 -3.490 -2.054 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 4.235 3.909 2.340 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 -19.115 20.540 -4.570 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 9.792 2.805 -8.517 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 -0.614 -4.097 5.597 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 -0.265 0.060 16.575 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 10.626 -5.978 0.739 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 0.863 -5.893 -1.753 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 -1.951 -11.123 -5.840 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 1.412 -0.331 0.071 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 -0.623 -1.747 3.206 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 -4.453 11.397 0.356 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 -7.063 -20.544 11.113 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 -5.589 2.227 0.313 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 5.448 3.736 12.515 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 -15.046 -6.245 -15.790 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 4.557 -1.640 2.499 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 -26.327 11.189 -11.777 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 7.737 -2.051 18.985 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 0.505 -3.146 2.562 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 -6.861 -10.946 -19.608 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 0.350 -3.456 2.985 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 -1.259 1.239 -4.721 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 -2.718 2.275 -12.632 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 17.872 5.462 -11.605 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 -3.488 -3.831 0.308 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 -5.340 -4.034 19.657 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 -15.196 -13.557 13.300 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 -3.344 -2.668 2.445 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 -5.192 4.180 5.449 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 -24.902 10.993 18.084 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 -0.364 2.610 2.319 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 -14.279 8.381 -14.406 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 -2.339 -9.996 21.359 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 6.673 7.243 -5.612 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 -10.188 15.244 -20.797 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 -4.640 25.110 -19.848 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 -5.151 1.190 1.442 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 -6.259 3.886 -2.815 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 -0.560 0.633 0.758 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 3.614 -2.724 -1.022 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 -7.877 17.276 -16.499 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 -1.575 6.249 -12.642 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 -4.548 -9.209 1.794 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 4.568 -3.948 2.383 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 6.651 -14.742 -3.288 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 -2.848 4.195 2.166 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 4.968 11.012 -7.069 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 -29.492 3.799 1.075 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 -1.160 -0.110 -5.435 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 -17.489 6.538 -20.202 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 15.641 -13.653 1.940 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 -7.674 -6.755 0.609 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 10.056 -17.471 2.152 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 -11.467 -10.827 7.178 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 -7.446 0.434 -4.218 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 -13.197 9.149 2.695 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 -14.391 10.425 -20.969 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 -5.261 0.934 -7.102 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 -6.047 34.405 0.216 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 3.596 0.342 2.150 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 0.576 4.265 -3.068 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 -2.617 -6.366 -8.178 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 4.951 6.118 7.080 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 -4.331 3.344 -2.657 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 4.799 22.823 -1.240 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 -20.228 -11.576 -8.498 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 4.204 1.932 -1.983 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 17.717 2.648 5.246 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 -3.052 -0.152 -18.609 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 -4.793 0.842 -5.093 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 13.526 -10.510 -2.574 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 8.211 9.970 21.881 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 3.697 1.385 -6.270 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 8.860 2.988 -4.153 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 5.149 2.778 -31.110 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 -0.403 4.211 -4.608 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 21.508 4.979 -18.377 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 4.835 -1.830 23.749 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 0.786 2.977 -5.138 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 -16.191 1.853 -18.143 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 -3.411 3.536 -4.450 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 -4.726 3.053 1.873 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 -9.905 -10.929 -33.637 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 4.797 27.383 49.020 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 -0.684 2.522 4.992 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 13.320 2.777 -8.360 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 -16.341 -11.814 23.763 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 -5.643 -4.438 -0.001 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 5.691 -0.776 -10.717 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 -3.541 -7.842 -4.217 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 -4.135 0.731 -0.609 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 2.301 2.636 8.543 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 -10.225 0.801 2.270 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 -5.637 -1.921 1.572 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 -2.803 -9.768 -3.342 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 4.668 -18.133 -17.461 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 -6.800 1.121 3.874 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 -7.662 -10.173 -13.223 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 4.951 2.773 2.597 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 1.145 -5.655 -3.371 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 -29.394 -4.725 -15.000 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 -2.347 8.588 24.118 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 -2.814 -0.443 -0.331 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 0.189 -14.286 -14.558 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 17.645 -16.823 13.189 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 3.746 0.892 -2.914 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 5.040 -7.760 -5.841 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 8.016 2.276 4.512 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 -0.111 -2.250 -0.251 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 -9.669 -5.666 0.814 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 0.736 5.101 -4.011 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 4.537 -4.499 2.850 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 -7.808 4.013 -4.440 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 19.548 -10.002 6.463 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 2.839 -4.077 -3.487 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 12.574 -12.931 1.640 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 9.825 20.593 0.545 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 4.420 3.782 -3.641 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 2.223 2.863 1.443 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 5.778 3.980 1.269 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 -1.568 1.767 -8.359 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 13.387 10.866 -18.348 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 7.173 20.741 -11.852 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 -4.509 1.702 2.232 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 -0.620 -2.189 2.020 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 12.082 -13.362 5.097 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 1.025 -2.022 4.801 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 4.405 -7.763 -0.609 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 -2.682 1.226 8.156 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 -0.060 -4.138 -11.572 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 -3.339 -13.145 -14.959 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 -0.725 -11.667 -13.067 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 -7.615 2.643 4.361 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 -11.179 -9.244 -12.899 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 -0.823 21.551 -3.316 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 1.872 -0.730 5.971 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 11.605 -6.813 -0.734 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 6.009 19.040 23.994 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 -2.720 -2.872 0.541 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 -0.750 -0.121 -1.291 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 4.901 8.113 -7.350 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 1.751 5.752 1.386 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 3.374 16.306 8.809 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 4.561 5.180 -14.176 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 0.813 7.517 0.800 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 19.243 2.570 -15.686 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 -17.272 -12.921 4.838 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 -2.972 3.334 5.289 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 -10.143 5.528 -29.308 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 -3.572 3.307 -3.868 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 3.604 1.142 1.071 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 -1.467 -6.099 -0.620 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 3.728 -0.047 2.780 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 2.340 5.434 -0.999 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 -4.463 5.481 -1.245 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 7.418 4.966 -0.993 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 -3.074 -0.830 -1.606 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 -1.752 -13.937 -1.498 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 14.771 2.399 -7.476 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 -4.188 1.408 -3.481 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 -6.284 14.715 -14.239 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 -27.056 -2.963 -14.457 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 -3.537 1.683 4.796 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 2.608 -0.623 1.995 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 -9.785 4.099 9.359 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 5.905 -6.543 -0.117 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 6.361 -11.881 -43.393 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 19.069 -2.881 -15.646 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 3.634 -9.355 -2.431 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 -5.101 6.623 -2.311 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 23.247 -12.584 -0.354 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 -4.864 -2.092 -8.984 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 3.533 -17.254 4.523 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 -22.333 -4.853 -15.361 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 -2.301 -7.225 4.135 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 12.557 6.455 -9.451 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 9.081 5.045 -1.410 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 0.537 -4.352 -5.145 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 -5.224 0.015 5.309 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 -6.395 -13.395 -10.974 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 -1.823 2.285 -12.206 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 -2.368 -2.456 0.331 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 5.255 7.904 -13.890 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 -5.661 -7.753 -5.279 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 21.795 5.930 -6.117 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 11.590 0.217 -5.656 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 -5.471 -0.430 -0.426 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 -11.209 3.471 1.424 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 30.279 -15.124 -5.297 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 -6.375 -8.619 -5.283 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 -8.787 -15.150 -15.411 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 -1.844 15.407 3.688 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 -1.955 0.639 -1.065 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 -0.880 -5.973 23.594 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 2.231 4.107 -3.919 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 -0.606 3.407 5.429 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 -6.107 11.364 11.347 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 4.674 21.983 18.510 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 3.564 2.875 13.141 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 4.916 13.007 8.963 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 3.510 -1.163 -4.289 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 2.757 1.156 -1.292 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 -9.362 2.422 -3.850 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 -14.525 32.342 -8.049 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 -0.986 2.995 5.300 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 2.575 -6.105 5.566 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 -8.033 2.649 6.283 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 -3.832 1.466 -5.179 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 -17.535 1.699 13.990 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 4.630 -19.639 -12.339 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 -0.053 -5.324 4.356 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 -5.218 -25.534 -0.129 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 13.650 10.635 -0.775 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 -2.463 7.248 7.883 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 -1.510 -4.481 16.359 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 -6.028 10.273 8.259 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 1.623 -1.959 0.821 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 2.985 -4.427 21.891 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 4.981 -2.699 -29.419 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 1.891 5.117 2.394 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 -3.955 4.608 11.537 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 20.589 13.984 1.668 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 4.914 -3.478 4.786 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 2.342 -15.615 15.438 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 7.115 -2.475 1.423 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 12.947 1.356 -1.579 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 -0.481 8.530 9.368 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 -1.150 9.168 -17.270 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 -0.889 -2.604 -2.077 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 15.600 -32.306 -1.386 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 10.856 2.824 11.504 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 2.006 4.120 2.039 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 6.395 2.596 10.223 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 -13.206 13.016 -4.343 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 -3.923 3.300 3.398 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 -16.048 -10.371 8.088 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 9.874 -3.870 7.921 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 -2.673 2.449 1.265 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 8.968 7.615 1.542 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 -5.464 4.315 -13.480 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 -2.586 -3.634 -4.738 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 -5.309 -17.044 -7.895 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 -10.874 1.534 3.123 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 4.771 2.209 0.998 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 3.868 1.662 -0.224 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 2.613 4.821 -9.944 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 5.464 -2.509 -4.903 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 -15.725 11.461 9.395 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 -13.716 2.075 -0.100 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 3.281 -0.409 4.144 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 4.201 0.305 0.704 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 8.234 -9.068 -10.226 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 5.080 5.700 2.153 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 3.549 -13.741 9.911 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 4.116 24.874 5.415 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 -3.004 1.969 0.648 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 -8.399 12.724 -21.068 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 17.327 6.862 11.607 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 4.501 0.158 2.401 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 8.831 -0.738 4.883 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 18.415 -1.828 1.564 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 -0.155 -4.448 -2.026 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 -7.308 -5.706 0.852 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 -12.322 -9.955 -2.041 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 2.745 1.136 -6.362 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 14.982 -11.611 -15.757 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 -10.783 -6.495 -0.601 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 -0.152 7.472 -2.771 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 5.527 7.991 -23.420 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 1.427 -1.897 -11.250 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 5.174 -0.143 -0.761 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 -3.344 1.286 -37.095 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 8.721 -4.157 23.592 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 2.261 -5.384 1.833 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 -4.344 7.156 9.406 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 9.506 -5.569 9.067 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 -6.803 5.686 -3.741 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 -2.806 0.325 -2.739 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 -8.509 16.537 -7.594 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 6.046 0.838 6.041 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 5.350 -9.442 2.645 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 -6.732 9.097 6.640 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 -6.655 0.255 -0.028 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 -6.619 6.876 -2.893 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 -6.529 8.952 0.532 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 -2.657 0.994 -4.892 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 -22.812 -2.018 6.917 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 -2.381 3.112 -5.964 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 -0.251 -4.618 -5.233 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 -2.696 19.564 6.143 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 -15.215 1.401 12.848 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 -4.616 -4.119 0.417 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 -7.976 9.800 1.446 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 -19.490 0.353 -15.108 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 -2.992 2.555 5.334 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 -17.696 -2.838 21.045 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 -13.626 -2.736 14.674 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 -3.425 -8.777 -0.218 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 -3.625 -7.089 -10.640 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 -3.022 -6.294 -19.221 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 -2.276 1.711 1.912 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 -4.097 -15.795 4.232 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 2.379 8.078 4.609 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 1.830 0.573 -5.476 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 -8.266 11.200 -22.651 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 -5.959 -4.316 8.865 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 0.543 1.561 -2.672 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 6.365 15.046 4.418 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 3.193 0.511 10.637 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 6.372 -4.138 5.641 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 3.492 5.092 -23.253 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 13.824 -17.425 -17.236 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 -6.642 -3.509 2.026 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 -10.613 -5.199 8.729 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 -15.760 5.556 2.704 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 -3.975 -0.557 -6.347 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 0.899 -7.237 -6.519 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 -10.489 2.227 -5.505 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 -8.285 0.377 5.658 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 1.353 32.347 -4.287 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 2.244 27.835 -6.307 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 0.926 -0.221 1.384 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 -29.978 -10.246 0.232 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 21.644 6.862 3.533 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 0.559 3.849 -5.342 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 -2.090 11.630 -7.450 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 -10.409 9.521 4.595 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 -1.991 -0.157 4.503 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 7.385 8.194 4.800 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 -3.006 6.409 -2.798 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 -2.497 3.388 7.775 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 -0.300 -15.335 14.552 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 9.960 12.128 -42.874 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 5.497 -3.069 0.476 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 3.946 -5.554 12.280 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 2.919 -18.098 -7.418 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 2.382 -2.756 -8.277 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 7.611 6.396 11.381 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 10.896 14.095 23.865 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 0.131 -8.570 -3.149 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 8.199 -8.171 -0.581 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 -18.542 9.707 -8.121 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 6.894 -1.414 -6.561 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 -2.766 -12.029 -5.047 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 10.973 -4.252 -7.185 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 -4.212 5.330 1.802 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 10.185 -0.489 11.815 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 -16.103 -4.165 7.065 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 -0.803 4.969 3.341 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 3.586 -6.791 -4.786 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 2.185 11.331 -20.845 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 5.191 1.288 -7.080 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 14.708 -0.932 -7.607 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 12.106 -4.293 -1.361 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 -0.796 -0.394 -3.137 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 6.622 7.236 -24.055 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 -11.343 2.938 -15.233 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 -9.642 1.035 -5.359 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 -8.974 3.677 -9.049 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 -1.054 -16.096 -26.979 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 1.412 -4.803 2.391 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 -0.065 -3.429 -9.112 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 2.966 -4.144 -0.972 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 0.823 -4.047 -2.981 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 12.437 24.709 16.206 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 7.802 44.664 17.642 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 3.533 4.798 0.489 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 2.849 11.777 3.229 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 2.765 5.207 4.732 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 4.185 2.337 -11.172 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 18.384 1.355 -13.556 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 -1.290 13.669 6.568 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 -0.575 -2.643 6.909 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 6.099 -4.384 9.649 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 0.564 2.025 -6.080 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 -6.561 4.040 0.211 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 -8.337 28.174 -15.059 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 -6.656 11.166 7.221 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 -1.310 0.902 -10.618 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 -17.635 21.774 -1.538 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 1.644 -6.371 16.211 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 5.474 -4.010 -7.179 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 -8.846 27.957 20.246 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 -4.912 24.949 4.351 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 -5.178 4.552 4.718 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 -3.165 4.124 7.742 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 11.593 1.568 10.902 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 -3.504 -1.369 3.763 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 24.908 -9.632 7.515 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 -10.448 2.616 1.852 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 10.134 0.866 3.817 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 2.923 3.038 1.294 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 8.766 -0.486 7.090 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 -1.074 4.940 1.981 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 -17.606 -12.657 18.480 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 -15.569 -38.684 15.823 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 3.064 -3.814 4.262 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 -13.747 -23.917 -21.278 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 0.761 14.575 -0.034 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 -5.763 1.510 2.001 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 6.502 17.604 32.548 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 -34.866 13.739 3.853 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 3.231 -5.605 -5.295 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 -20.679 -3.884 -0.636 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 -5.159 -22.390 2.654 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 7.435 6.711 9.027 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 -2.121 0.476 9.655 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 -3.597 8.568 5.726 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 0.960 -1.031 -3.137 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 7.703 -14.755 14.829 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 -7.063 1.594 -13.007 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 0.645 0.198 -0.163 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 11.309 4.523 -7.783 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 -10.384 -5.385 -1.719 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 -1.624 -1.303 -0.801 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 -2.038 -2.263 -1.905 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 6.036 3.011 5.211 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 4.284 -0.303 -1.682 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 2.647 1.122 0.884 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 7.293 -8.075 -4.997 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 0.438 -4.043 3.632 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 -10.317 -6.804 -30.750 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 -15.512 11.099 -38.701 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 3.812 -1.386 -2.120 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 9.145 -1.865 -16.040 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 -9.447 -12.690 -2.823 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 -1.948 -1.593 2.792 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 15.156 3.382 -17.326 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 13.270 2.012 25.724 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 -7.982 -4.623 2.020 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 -0.652 5.293 2.069 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 -1.071 -13.084 6.806 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 -4.254 -1.770 5.596 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 2.112 -9.636 0.137 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 1.881 -5.650 -0.321 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 2.467 -4.233 0.015 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 -8.647 3.730 9.043 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 18.454 14.195 0.019 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 0.545 -2.659 6.187 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 6.180 -8.701 8.980 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 5.510 -14.314 10.038 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 1.747 3.669 6.068 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 -12.023 6.455 21.846 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 1.409 21.234 -4.587 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 2.276 -4.892 -5.118 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 8.126 4.154 -16.761 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 -1.686 -2.653 -5.578 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 -8.281 7.592 -5.579 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 9.792 8.082 1.286 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 -13.734 12.050 -15.399 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 -4.156 -0.369 9.701 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 -10.274 2.997 -0.000 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 -11.926 -12.300 6.220 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 -3.851 -2.346 2.753 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 1.721 -10.415 7.400 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 1.549 -9.945 6.497 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 2.313 -2.757 2.418 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 -7.374 -9.103 10.097 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 -20.936 -6.872 4.114 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 1.335 4.693 3.361 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 -3.385 5.353 -6.821 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 -0.424 1.844 6.142 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 -2.686 -0.432 0.148 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 8.795 -7.673 -15.428 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 -40.654 17.699 14.107 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 2.965 0.521 3.026 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 14.848 -3.778 -2.505 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 -4.551 -6.298 7.156 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 -1.240 -0.342 0.758 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 -8.575 -15.028 -8.515 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 8.200 -9.155 -13.481 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 1.999 3.650 -4.110 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 2.764 7.714 -10.477 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 -8.280 3.373 -3.421 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 -1.689 -1.630 0.396 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 12.109 -2.815 9.355 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 -1.754 -11.258 -5.842 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 1.017 3.933 0.622 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 -3.082 3.821 10.710 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 -8.498 13.309 9.585 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 2.693 4.613 -4.194 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 -5.068 10.746 -4.047 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 0.106 -3.974 -3.504 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 -10.189 3.908 -3.756 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 6.337 2.415 5.118 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 -23.188 10.846 -1.351 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 1.476 -2.908 -2.263 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 -0.345 -4.610 -7.625 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 4.460 3.215 -1.748 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 3.191 1.541 4.046 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 13.466 -6.359 4.916 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 -6.034 13.474 -2.710 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 7.101 2.159 -2.789 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 -0.808 -5.748 -9.892 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 -4.616 -2.637 8.199 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 1.084 -2.881 -2.218 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 20.983 -2.924 18.152 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 14.751 4.263 6.726 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 -8.271 -8.917 1.463 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 2.368 -4.801 20.264 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 -3.418 -3.175 2.788 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 5.648 6.631 4.383 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 -1.515 23.979 -0.355 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 5.064 15.380 1.275 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 -2.400 3.868 -0.718 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 -7.033 11.605 -4.325 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 7.262 7.200 -1.689 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 2.916 -4.112 -1.957 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 1.147 -5.802 -1.515 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 12.821 4.302 -1.932 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 1.686 5.855 -0.649 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 -35.193 23.227 -29.443 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 -3.183 -8.924 21.530 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 -0.435 -3.242 -6.455 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 -0.354 -37.691 7.789 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 14.560 4.457 -24.726 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 -4.925 -6.893 -3.417 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 -18.927 8.130 -10.615 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 -1.797 -2.266 -5.674 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 -0.773 -0.238 3.612 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 -2.078 10.558 -18.607 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 -3.228 16.651 -22.544 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 -1.334 10.014 -5.353 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 -5.253 -2.874 17.699 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 -3.144 4.504 6.149 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 -2.281 0.233 1.818 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 30.791 7.982 12.044 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 -7.155 18.659 27.982 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 1.045 -0.537 -3.902 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 3.451 -12.783 4.370 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 7.592 18.469 3.334 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 -0.260 4.399 2.605 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 -1.225 -5.259 -8.072 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 -1.954 7.432 -19.481 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 -4.862 -2.566 -11.672 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 14.212 -6.133 -16.590 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 -29.231 1.084 -6.049 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 -2.487 6.478 3.746 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 11.060 0.267 10.996 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 20.359 -6.714 -16.279 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 3.078 0.680 2.360 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 1.372 -6.693 9.671 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 4.031 5.653 -8.068 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 -1.414 0.484 1.516 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 -0.558 5.140 -1.998 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 0.620 6.732 3.363 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 1.093 2.787 1.697 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 2.478 5.655 3.950 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 -1.034 2.689 -1.343 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 3.864 0.503 8.481 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 10.808 6.010 1.839 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 1.697 -8.588 -6.760 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 -1.952 -7.861 0.232 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 11.815 -6.444 -18.702 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 -1.091 -14.610 10.790 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 -3.241 0.056 5.416 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 -1.103 -2.134 4.054 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 -1.895 -4.016 13.282 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 3.232 5.363 -0.512 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 3.641 7.186 -0.292 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 4.982 29.270 -17.953 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 0.814 0.157 3.640 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 0.018 -16.440 1.728 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 6.415 -7.919 4.787 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 -6.207 2.117 -4.709 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 -0.272 -0.803 -2.547 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 -19.408 5.411 -7.833 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 -4.022 -1.759 -8.797 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 -10.585 5.673 -24.763 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 -6.990 -6.855 5.318 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 2.805 1.064 -6.614 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 -5.858 -19.981 -7.390 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 -14.358 15.400 2.807 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 -1.055 -3.669 -4.419 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 5.824 -1.043 26.320 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 -0.459 -13.178 2.453 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 -7.988 -2.678 2.016 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 4.925 -5.070 -25.982 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 -14.374 28.089 -5.328 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 5.201 4.848 -5.948 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 0.414 17.166 13.773 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 -15.632 -0.771 -4.582 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 1.622 0.241 -9.260 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 1.932 -8.691 9.151 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 -8.022 -14.136 -23.751 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 -2.925 2.483 -4.435 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 -6.707 5.551 10.945 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 -1.890 4.507 -23.416 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 -4.461 4.156 3.367 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 -2.042 4.307 11.571 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 -7.341 13.222 16.343 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 2.980 2.984 1.654 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 21.146 23.777 -8.550 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 0.993 -7.507 -3.232 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 -3.699 1.995 -2.204 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 -5.105 11.771 -11.070 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 -9.800 -8.437 -8.088 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 3.755 6.834 -7.422 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 7.973 -7.151 8.914 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 3.802 -2.255 3.202 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 -1.632 7.392 -3.586 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 9.767 6.877 9.168 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 -12.154 10.800 7.757 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 0.602 1.495 -9.791 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 -5.597 -4.844 -15.314 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 -10.768 0.756 -21.406 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 -3.049 1.434 1.603 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 -9.622 1.451 8.560 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 -24.879 4.600 23.541 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 1.101 1.998 -4.650 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 7.768 18.894 -17.449 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 12.106 -2.977 0.514 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 -2.482 -3.374 -2.878 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 -3.562 -9.585 -2.440 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 -19.096 8.508 1.736 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 -2.996 0.869 -1.510 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 -3.880 -2.547 12.635 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 -4.188 1.891 -23.971 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 0.797 -3.617 3.460 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 17.776 -8.423 -32.201 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 -19.316 -35.247 10.393 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 0.527 -3.723 3.689 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 -22.775 17.513 3.727 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 21.232 1.893 -25.160 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 -4.604 0.680 -3.381 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 8.407 6.363 -16.706 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 -1.210 -3.011 -6.100 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 -1.561 1.182 5.472 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 -7.733 6.298 11.468 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 4.050 -0.661 0.696 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 -3.811 -7.750 -4.652 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 -19.860 -16.978 -9.571 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 -11.226 -17.161 3.552 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 -1.127 -3.210 1.991 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 18.890 -8.600 -10.764 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 -0.974 -18.417 20.606 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 -0.725 -4.231 7.085 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 12.167 -19.109 15.569 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 -1.701 0.292 3.840 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 4.543 -0.348 7.055 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 16.112 -8.474 3.793 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 -6.380 3.166 14.526 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 0.120 -0.850 4.799 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 13.747 2.633 -22.880 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 -6.354 3.243 22.001 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 1.811 -6.278 -4.501 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 2.047 -4.033 -1.707 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 -1.889 -2.825 1.052 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 -1.229 -3.727 3.692 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 -6.593 10.357 14.437 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 -13.857 21.553 -0.870 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 -7.255 -2.028 -3.397 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 -6.591 -1.657 -2.310 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 -9.801 -2.937 2.790 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 3.852 3.313 -0.986 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 7.691 -7.151 0.054 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 9.826 1.527 -15.768 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 -7.568 -5.643 1.920 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 -17.097 -16.637 25.914 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 1.562 0.163 -18.061 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 0.605 5.235 2.641 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 14.929 3.390 13.723 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 5.638 -1.401 -14.385 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 -1.402 0.041 -7.068 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 12.650 33.051 0.976 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 -17.132 -22.810 21.433 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 2.659 0.477 -0.860 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 4.708 5.164 9.309 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 9.492 7.554 -0.230 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 0.828 -1.049 0.784 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 -0.753 -10.402 9.301 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 13.190 1.966 -9.989 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 -3.841 1.345 -1.955 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 5.650 -1.311 -1.393 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 16.175 -3.720 -0.672 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 0.441 0.118 -2.170 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 3.122 1.029 -13.357 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 -0.167 11.097 6.152 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 6.704 5.162 -1.776 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 -12.516 15.714 0.218 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 28.843 10.402 6.670 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 -3.273 -5.284 0.355 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 5.399 -2.201 6.312 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 4.215 -9.711 3.220 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 4.950 -7.108 -1.173 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 -20.712 -10.652 2.848 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 22.770 11.710 4.884 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 4.645 0.992 1.651 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 -2.567 21.399 15.703 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 12.917 -14.526 -0.836 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 7.899 -7.453 3.812 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 -20.049 -13.749 0.653 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 -12.583 -14.871 2.592 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 -1.074 -0.495 0.562 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 0.899 0.636 13.484 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 19.803 -26.553 24.336 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 -1.592 -7.559 -3.542 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 -8.948 -19.345 1.477 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 1.585 -3.952 -5.069 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 3.684 0.426 -2.172 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 5.275 -4.147 -3.013 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 12.779 -14.514 1.390 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 -1.628 5.895 -4.761 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 -32.196 14.579 -2.643 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 11.598 13.213 5.090 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 1.205 -8.762 -3.009 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 -22.539 -8.663 -6.687 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 -23.367 -10.249 2.707 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 1.056 4.626 -3.202 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 13.620 8.407 -16.216 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 -15.015 5.787 -11.498 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 1.104 -1.718 -3.051 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 10.601 -17.929 -1.413 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 15.818 6.262 -23.519 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 -4.279 0.339 -6.526 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 12.075 6.154 -3.742 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 1.244 -12.601 7.286 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 0.400 7.863 0.503 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 6.373 9.366 -7.849 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 -1.962 -2.188 11.904 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 2.925 7.108 2.982 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 -20.746 -7.019 -6.520 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 2.964 -22.040 -15.303 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 -4.078 10.844 7.574 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 -2.242 -23.202 -19.263 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 -0.455 -11.763 0.794 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 -3.264 -4.807 -6.971 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 -11.310 -9.631 17.349 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 -21.543 -15.032 -15.064 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 3.592 -2.682 3.353 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 14.378 6.929 -0.729 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 -18.988 4.896 4.549 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 0.496 10.565 -0.419 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 1.236 -2.007 3.553 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 8.223 -15.555 -3.503 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 1.341 -0.246 -4.027 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 6.491 -5.356 -6.635 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 15.444 14.704 -23.772 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 2.516 -2.940 -6.671 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 4.547 -20.229 6.639 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 -16.178 -10.901 -34.869 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 6.447 -4.036 -4.734 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 7.724 22.127 7.147 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 7.183 3.835 -0.110 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 -3.610 -8.368 4.169 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 -12.680 -1.457 7.102 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 -5.404 -13.609 2.785 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 2.309 -0.859 -3.953 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 -4.657 -11.084 -2.970 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 -6.312 6.067 -4.515 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 -7.505 6.588 -1.859 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 11.627 33.887 -26.713 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 28.825 16.536 -7.500 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 -7.355 -5.061 3.060 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 -25.513 5.661 3.206 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 8.484 -22.834 -14.338 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 -5.351 6.160 4.326 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 12.700 -17.488 10.348 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 18.011 18.849 -13.433 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 1.817 3.220 0.325 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 3.796 -14.675 15.277 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 -3.150 26.993 -3.922 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 3.420 -0.964 -1.396 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 2.033 0.468 -14.992 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 1.511 -4.848 7.537 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 0.288 -2.436 1.102 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 36.101 11.009 1.387 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 -35.964 1.788 0.260 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 3.908 7.861 6.878 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 -3.841 10.861 10.558 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 2.284 -1.483 5.657 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 6.660 -0.330 -3.708 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 -3.806 -4.567 3.621 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 9.724 -9.617 -10.624 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 0.788 5.517 3.123 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 -1.230 -12.768 4.862 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 0.226 -0.695 3.920 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 2.967 3.782 0.435 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 3.714 2.301 -5.074 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 -3.718 6.998 9.237 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 1.311 10.661 -6.182 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 11.167 -16.006 -17.986 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 -24.639 16.237 11.063 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 -4.502 0.168 3.045 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 5.018 -9.950 11.156 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 4.953 6.205 -8.006 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 1.080 -2.091 -1.375 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 1.832 -2.548 1.989 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 -4.166 -9.897 6.844 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 4.338 -6.740 -0.327 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 10.023 6.286 -6.924 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 7.120 -0.182 -3.859 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 -1.519 2.192 -6.132 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 -7.690 8.462 -0.809 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 9.277 6.104 -0.591 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 -2.794 4.515 -1.817 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 -27.810 -8.441 -16.940 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 5.340 -19.396 13.557 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 3.475 8.889 3.263 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 1.420 -7.767 -4.863 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 1.521 8.636 5.263 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 0.172 -2.535 -2.091 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 15.255 10.955 -28.860 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 0.857 -5.882 -18.777 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 4.358 -4.519 -9.428 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 -10.986 18.913 -10.267 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 -16.818 30.463 -21.378 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 -2.516 3.378 -1.700 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 -8.528 -17.854 8.179 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 -7.446 -15.159 7.075 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 -2.888 -3.331 -2.547 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 -6.979 -7.913 -0.400 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 -7.277 -8.894 -1.502 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 -5.294 -0.164 -4.081 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 6.110 -3.572 1.300 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 -0.906 -2.044 -12.722 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 3.430 1.886 -5.926 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 -20.749 -4.357 6.495 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 3.875 -1.101 3.161 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 2.017 -0.078 1.336 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 18.179 16.399 -12.813 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 -13.283 1.794 9.614 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 -7.433 2.570 2.603 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 6.637 6.098 22.081 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 -3.899 10.573 -5.647 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 4.769 -6.635 -6.606 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 3.918 -24.091 -10.146 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 -9.211 -11.298 -5.472 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 -4.264 -1.867 -8.536 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 -9.215 -7.701 -9.008 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 -15.580 12.597 -7.265 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 4.775 -3.175 -0.921 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 -8.968 -14.356 -12.450 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 17.029 1.068 -14.042 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 11.494 -0.063 0.386 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 14.095 -2.454 -7.128 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 17.144 -7.244 10.930 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 3.236 -2.352 -8.208 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 -4.865 -5.117 -22.352 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 -14.550 -17.418 -10.981 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 -7.232 -0.043 3.061 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 -15.257 -2.138 -2.134 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 16.710 15.816 -27.692 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 -4.578 -7.777 3.148 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 -3.744 -4.897 10.995 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 -2.947 1.288 11.882 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 3.730 5.257 5.094 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 1.310 0.128 -6.754 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 -0.934 2.373 17.460 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 -0.652 -5.478 1.106 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 -11.700 16.339 7.672 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 15.076 -22.761 15.235 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 -4.126 -10.932 -0.445 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 9.508 -5.387 -11.946 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 5.608 -1.151 -3.102 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 3.843 1.386 5.604 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 -6.074 5.926 14.317 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 9.881 18.147 1.488 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 -1.844 -1.819 -6.839 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 -0.106 4.976 -11.259 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 4.509 -22.805 -21.403 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 4.039 -5.144 -1.027 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 10.556 -4.155 -14.177 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 -15.483 -1.371 17.455 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 1.062 -2.030 3.392 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 3.363 -14.515 11.472 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 -19.035 -9.569 9.033 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 -0.443 1.340 -2.523 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 -14.658 2.140 8.497 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 -5.213 2.881 -11.347 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 -4.421 -2.883 4.407 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 -22.340 1.419 -2.073 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 22.040 -9.274 12.835 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 -3.785 -0.709 4.516 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 13.593 -0.777 15.444 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 -4.949 -10.458 6.459 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 -0.551 4.035 0.606 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 8.354 -13.985 -0.901 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 -0.012 6.811 10.142 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 -6.045 2.311 -2.610 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 3.519 -7.121 -5.329 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 -17.663 15.551 3.038 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 6.141 -2.142 0.634 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 -5.228 0.432 1.068 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 -15.318 0.585 0.438 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 3.593 2.317 -0.433 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 -15.354 -8.492 -22.336 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 10.750 6.011 9.109 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 3.710 -3.618 1.767 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 6.285 -4.438 -8.362 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 -0.463 -17.306 9.154 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 -1.296 -1.903 -2.751 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 5.542 5.697 -5.456 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 -1.806 21.655 -18.110 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 9.437 1.607 9.327 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 20.462 -9.306 -23.006 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 5.689 25.811 29.055 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 2.252 3.683 0.835 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 3.756 1.096 -0.635 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 4.141 5.239 -5.320 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 -1.775 -3.563 1.329 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 5.999 -6.749 15.056 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 10.281 -2.461 10.280 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 9.339 -3.790 2.555 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 10.989 -15.434 9.214 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 11.239 -17.021 9.871 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 5.458 -3.688 6.582 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 17.180 -15.121 20.271 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 -14.116 -11.569 8.185 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 -1.007 -1.335 3.935 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 2.561 2.679 9.153 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 -8.082 1.432 7.281 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 -5.902 -0.085 -4.059 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 -11.505 -7.881 6.591 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 7.794 6.422 -4.639 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 1.892 -1.869 4.635 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 -17.894 -4.114 15.850 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 -6.684 -23.756 10.083 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 -4.378 -0.698 -0.914 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 -3.357 22.319 -9.094 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 -21.764 -12.176 -2.412 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 -2.310 -0.746 -3.941 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 -10.221 3.961 1.403 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 2.096 -3.689 -7.140 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 0.211 -1.250 0.103 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 -1.233 -9.047 -39.823 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 -4.938 20.247 7.780 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 -1.500 3.572 -0.612 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 11.617 32.220 0.868 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 -0.372 11.629 -10.808 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 -3.630 1.532 5.237 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 -21.385 7.677 16.490 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 0.251 -10.906 7.786 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 -1.145 -3.526 -0.361 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 2.754 13.403 -2.818 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 29.720 5.671 17.157 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 0.797 -5.677 0.605 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 -13.924 -16.780 13.430 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 -3.964 -7.809 -23.756 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 -0.668 4.096 8.530 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 1.328 -6.871 16.448 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 0.431 0.512 -4.137 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 2.393 0.502 -2.452 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 18.475 -17.254 6.298 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 -5.197 -21.855 -4.586 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 -8.296 -2.971 -3.051 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 1.435 8.572 18.693 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 -5.321 -14.321 -5.911 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 7.081 1.994 3.453 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 2.477 -23.221 19.651 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 -7.445 12.733 -6.144 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 -0.916 -4.028 -1.196 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 4.712 -0.900 6.436 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 9.173 -0.117 13.862 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 -4.241 0.753 -7.236 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 17.315 -2.429 -5.684 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 -9.608 -13.327 2.830 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 4.724 -2.177 2.789 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 -4.940 1.172 11.753 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 -7.065 0.068 -4.227 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 -1.874 9.982 1.406 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 18.286 6.868 3.898 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 10.435 14.263 -10.378 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 6.853 3.002 6.407 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 7.328 -3.304 -4.239 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 3.601 10.879 3.432 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 -0.801 -5.638 -0.465 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 28.486 -8.498 4.540 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 -18.679 -0.830 2.394 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 -5.867 -1.118 0.241 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 -10.972 1.322 13.087 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 6.815 5.254 -26.174 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 -3.154 0.857 -1.646 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 0.750 -7.789 -0.729 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 15.328 -34.351 0.786 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 -3.741 -0.606 -3.265 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 3.899 -2.005 -11.146 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 -9.256 5.912 -7.606 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 -0.858 -0.059 -1.750 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 12.156 -1.270 8.060 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 12.430 5.014 10.557 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 -1.093 -4.808 0.560 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 -15.847 7.845 1.586 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 5.554 -10.211 35.346 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 0.332 5.169 -0.294 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 -1.078 -2.125 -21.969 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 12.733 13.625 -3.549 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 4.041 8.724 -2.643 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 -10.631 32.985 -5.306 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 -0.822 20.060 6.307 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 2.961 -2.814 -1.181 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 -24.591 -13.913 -16.063 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 2.365 19.652 -12.557 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 3.298 -0.260 0.583 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 -12.425 -0.617 -17.906 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 10.609 -9.466 -3.635 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 5.288 7.494 -0.231 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 -8.077 -31.304 -7.837 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 13.813 9.410 -13.460 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 -8.492 5.428 4.330 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 2.873 -20.959 -15.361 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 -5.874 -2.639 0.965 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 2.701 -2.533 -5.527 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 11.095 -9.294 13.765 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 19.880 0.620 -14.381 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 1.337 10.187 0.689 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 -11.159 11.636 -1.904 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 -2.209 1.971 -2.067 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 -0.648 2.523 -9.480 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 25.273 -13.508 -12.135 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 4.144 0.993 3.936 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 -4.244 -5.528 1.750 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 18.619 28.449 -43.118 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 2.583 -9.449 10.057 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 1.881 -1.634 1.463 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 -0.035 -5.490 -12.602 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 9.054 25.493 1.606 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 0.497 6.376 -3.897 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 8.135 8.478 3.004 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 -6.279 5.296 -2.005 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 4.416 1.064 -3.985 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 -15.348 5.414 1.720 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 20.746 12.021 20.704 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 5.489 -1.052 2.550 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 12.768 -11.464 -1.254 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 -14.085 -12.750 -5.760 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 2.806 0.480 -2.343 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 -11.864 1.636 -16.892 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 -10.982 5.972 -13.262 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 -1.157 2.322 -3.006 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 -20.661 16.929 -19.264 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 8.857 -2.518 -7.417 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 1.384 4.495 -5.875 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 2.402 -4.846 2.363 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 1.041 6.396 -31.714 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 -3.622 -7.068 0.141 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 -1.074 25.690 9.431 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 -1.642 -30.276 -15.797 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 3.024 6.234 -1.205 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 4.118 1.037 -9.056 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 2.714 9.521 3.812 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 -4.502 -5.880 -0.909 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 9.964 6.299 -3.921 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 -14.665 6.241 8.365 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 2.979 5.967 8.733 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 4.062 -10.587 32.031 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 8.500 5.967 -15.546 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 0.443 -4.531 -1.337 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 29.831 12.687 12.082 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 8.557 -30.827 6.101 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 3.785 1.372 0.135 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 -7.104 21.023 -18.649 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 30.908 -45.719 16.576 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 -1.033 -2.352 -1.901 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 -10.145 -28.107 8.682 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 -0.257 -10.899 7.382 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 -7.605 0.337 7.970 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 9.161 -6.991 9.139 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 2.011 -16.688 -5.532 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 0.718 -2.463 -3.138 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 -4.243 -5.958 22.165 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 -7.603 12.129 -9.854 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 -4.289 -6.666 3.834 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 -18.256 -13.070 18.094 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 -0.213 7.949 15.629 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 7.565 -1.218 -3.468 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 3.766 -7.764 -23.740 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 15.228 9.401 27.747 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 -3.117 0.837 -4.926 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 18.163 0.491 2.880 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 -4.458 -6.565 -10.365 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 -2.425 1.195 0.985 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 -2.527 24.466 4.540 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 1.783 17.549 4.774 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 -3.382 4.187 -2.504 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 1.024 -0.121 -2.205 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 -2.215 10.426 -7.331 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 -4.046 -2.187 1.844 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 -14.814 -1.851 2.446 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 8.732 14.608 18.353 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 -3.882 6.458 -2.535 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 -6.343 2.640 -0.601 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 -6.821 6.365 7.131 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 1.806 -3.183 1.358 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 0.563 21.333 11.769 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 -12.891 -12.195 16.857 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 -9.193 0.309 2.193 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 0.354 -12.606 12.593 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 -9.110 -7.288 3.867 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 2.443 1.922 3.504 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 -0.443 1.883 3.080 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 -3.061 4.088 1.571 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 -2.654 -6.101 4.896 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 -5.796 2.430 -0.449 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 -6.674 -10.268 9.296 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 5.137 4.646 -0.346 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 8.823 -14.807 6.051 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 -4.290 0.587 -7.660 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 -5.853 0.805 3.958 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 -12.413 -3.802 -0.149 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 14.900 13.713 15.438 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 -6.417 1.810 5.769 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 -14.632 -30.716 8.615 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 1.237 5.183 -21.167 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 0.301 -3.139 11.518 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 1.566 -1.619 7.809 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 9.452 4.414 -9.243 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 -1.424 -0.541 6.600 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 -18.172 -5.428 17.257 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 -16.207 -6.569 -12.215 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 -1.255 1.278 -4.872 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 5.942 4.712 10.451 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 -14.797 -2.029 36.677 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 8.480 6.017 1.282 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 5.045 -14.543 15.703 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 11.540 16.451 -6.830 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 -1.255 2.876 -3.568 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 -8.120 10.671 7.514 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 14.545 -12.808 -26.745 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 -0.801 5.942 1.565 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 -6.918 30.820 10.241 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 8.964 -5.868 -0.186 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 -4.083 0.325 4.346 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 -10.826 0.303 9.922 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 2.829 -0.214 -5.650 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 -1.014 -4.305 -3.787 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 -15.300 9.644 4.038 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 -1.778 -9.973 22.918 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 2.488 -1.710 -2.851 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 6.719 -6.669 8.238 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 14.408 3.099 6.329 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 -0.633 0.048 -4.151 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 -5.572 -11.516 6.265 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 -7.067 8.307 -17.059 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 -3.085 10.695 4.883 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 -8.756 10.613 -8.168 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 -3.728 7.719 15.343 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 2.263 -2.736 -5.220 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 -8.217 -1.607 -5.407 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 7.628 -2.838 -15.148 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 -0.406 -4.364 -0.549 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 -0.327 8.341 6.415 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 3.837 -40.381 -19.743 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 3.061 4.560 0.948 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 -2.990 -1.733 20.128 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 -5.739 -4.993 30.526 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 2.640 5.432 -4.066 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 -19.922 -5.407 -3.615 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 -2.216 -6.799 -31.449 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 0.748 0.356 -4.650 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 -13.314 8.088 -12.981 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 -8.397 -0.082 -7.172 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 1.034 -8.887 1.801 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 0.932 -9.573 1.087 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 -0.535 -7.172 3.406 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 5.429 -2.967 6.648 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 -8.694 -3.243 18.049 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 -8.574 -7.688 16.803 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 -1.753 -6.209 0.080 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 5.779 -19.203 8.398 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 1.046 26.475 16.085 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 10.389 1.502 -0.303 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 23.802 -12.004 -17.260 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 3.970 -5.498 4.938 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 1.049 1.963 0.416 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 4.022 1.802 3.135 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 12.268 0.749 -0.819 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 -1.361 0.930 -2.542 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 5.197 -12.470 -26.661 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 -11.925 19.055 21.554 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 -3.269 7.878 -6.161 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 3.663 6.949 -14.428 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 4.103 -4.666 -4.212 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 -6.932 -3.886 -3.250 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 -17.466 -3.659 -9.197 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 18.933 -8.084 5.821 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 0.131 -3.672 -0.073 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 -7.298 -11.564 -33.526 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 -20.110 -30.373 7.993 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 1.123 3.041 3.392 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 5.193 1.940 4.814 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 -32.682 11.609 -6.744 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 -3.307 -3.987 0.864 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 -1.943 -17.522 12.253 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 -4.492 -3.073 1.021 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 -3.526 2.192 -6.806 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 -5.518 3.322 -5.771 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 -6.926 9.611 -3.114 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 6.392 -3.121 3.022 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 10.452 -13.085 7.281 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 12.942 -6.325 6.203 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 6.630 -1.852 1.760 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 16.498 12.706 5.887 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 13.898 10.755 0.142 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 3.852 0.728 1.168 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 -1.264 6.829 -7.600 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 16.789 -4.939 11.184 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 5.713 8.074 -1.936 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 5.121 3.011 7.218 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 4.313 3.634 7.445 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 -4.627 -1.473 -1.053 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 -14.984 13.736 10.377 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 15.078 6.289 -4.913 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 -9.193 -0.028 -2.869 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 -15.192 11.239 -10.393 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 -10.748 -1.739 1.379 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 3.832 -1.650 -5.297 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 -0.445 3.525 3.033 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 -0.776 26.009 -17.962 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 2.088 -2.266 2.225 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 -2.956 -7.226 26.952 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 -3.144 21.517 -3.986 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 3.691 -1.961 1.807 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 3.884 6.069 -0.432 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 -19.665 -10.659 10.505 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 -1.791 1.624 -0.512 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 -10.374 -9.129 17.906 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 -18.933 -5.739 9.045 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 -3.671 0.396 3.078 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 2.263 5.451 2.733 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 -1.807 9.424 8.816 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 -4.720 1.416 2.006 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 -10.026 7.485 5.869 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 -16.167 0.553 2.979 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 -6.876 -6.312 -0.886 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 -7.075 1.697 -6.072 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 -15.005 4.984 -10.641 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 2.879 0.992 -8.896 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 -11.466 6.314 6.369 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 2.545 19.510 -11.299 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 0.858 2.720 1.481 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 4.340 -0.011 -2.793 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 4.542 -2.750 -1.211 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 0.063 -0.535 2.449 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 0.190 0.401 4.227 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 5.434 -8.269 15.346 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 -4.195 3.429 9.570 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 11.894 -1.434 -0.328 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 -8.604 6.215 -5.314 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 0.015 -6.795 -3.539 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 -1.517 -9.961 -8.084 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 10.375 -4.538 13.937 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 -1.720 -2.740 -5.273 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 -8.887 9.786 20.257 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 5.872 -3.407 -0.692 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 1.500 -1.664 5.141 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 -14.134 3.649 8.083 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 7.650 -13.185 17.363 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 -0.496 -7.041 -0.486 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 -8.975 29.086 -11.744 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 -28.147 15.250 -22.015 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 6.835 6.371 -2.434 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 -2.143 12.968 2.132 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 2.358 -10.572 2.132 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 -3.589 1.146 4.573 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 -7.770 3.089 -5.647 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 10.476 1.238 -10.124 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 -2.620 1.010 6.051 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 10.399 -1.589 4.644 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 -13.964 -0.048 3.028 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 -3.488 3.161 6.331 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 6.417 14.076 4.729 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 -23.557 -10.124 0.297 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 -2.944 7.586 2.550 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 -4.725 7.620 7.996 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 8.666 10.368 -29.568 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 6.034 -0.552 -6.585 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 5.944 5.763 6.500 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 -7.538 9.744 -11.043 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 -3.617 2.971 7.830 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 -6.792 -3.345 -14.552 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 11.174 5.995 17.591 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 -2.780 8.282 4.810 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 13.204 -11.485 -1.620 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 -7.396 36.092 -3.449 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 4.122 6.233 3.499 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 0.111 -18.116 31.393 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 15.152 0.136 -8.995 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 1.118 -2.614 -0.499 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 18.137 -20.505 -12.117 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 14.659 -4.381 -8.378 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 -3.587 5.627 1.222 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 -15.251 -12.098 2.920 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 -12.374 -37.096 2.884 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 -0.533 -3.290 0.040 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 -5.751 12.541 -25.860 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 8.649 0.534 -2.734 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 -4.707 -5.572 -3.406 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 2.473 20.333 -37.809 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 5.825 11.008 -16.187 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 -1.618 1.697 -2.957 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 0.839 4.267 -8.053 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 -5.554 0.675 -8.736 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 4.708 -2.073 3.443 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 5.467 -1.456 3.054 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 6.599 -0.737 6.038 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 1.900 0.031 -2.648 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 1.017 6.818 -3.550 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 0.851 11.714 -6.184 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 2.373 4.738 3.123 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 -11.802 -6.366 -21.981 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 -3.214 -17.751 27.025 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 -1.783 3.544 1.896 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 -0.451 8.067 3.921 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 -2.027 12.186 1.870 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 -0.036 -2.845 -4.314 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 -18.410 -5.646 22.171 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 -6.294 -13.335 3.078 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 3.051 -5.898 -2.184 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 2.179 -23.762 -6.191 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 -1.366 -17.757 13.665 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 2.900 -0.825 -0.593 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 23.027 16.508 2.454 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 7.579 -9.396 -3.672 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 -3.184 -1.634 2.654 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 4.467 -10.042 -15.518 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 -10.741 6.749 -29.327 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 -0.730 -2.465 -1.459 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 -15.617 -43.718 12.022 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 -5.482 -10.843 1.408 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 5.338 5.488 6.151 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 0.555 4.431 4.844 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 -5.830 15.585 13.767 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 -2.316 2.741 -1.039 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 -6.020 7.251 3.073 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 5.922 0.971 -0.277 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 2.724 2.474 -4.083 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 10.321 8.387 1.662 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 -1.384 4.110 -4.804 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 -6.568 0.081 5.271 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 13.129 11.867 -3.068 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 -1.689 -21.343 2.347 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 1.924 0.725 0.477 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 12.311 -0.269 -1.326 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 -9.532 4.372 -6.688 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 -0.065 7.295 -2.674 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 -12.582 18.296 -2.281 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 13.454 -27.012 13.991 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 0.949 -3.027 -2.076 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 -9.024 -11.307 -5.102 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 -2.968 13.056 -1.476 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 -1.447 1.838 -4.783 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 -4.237 2.339 -3.204 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 -1.974 7.911 -6.368 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 -6.045 -3.050 -5.552 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 -0.114 15.167 -25.801 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 -8.223 -0.636 1.791 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 -4.518 -1.779 -3.388 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 -18.819 3.133 -6.118 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 -0.226 3.470 -1.221 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 8.351 1.343 4.520 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 7.665 11.312 -4.963 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 7.810 10.312 -3.925 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 -0.585 -7.761 0.631 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 -3.485 2.033 -19.014 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 -2.990 3.799 -15.834 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 5.960 3.344 -0.652 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 -17.167 -41.412 -3.497 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 20.027 16.860 -9.492 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 6.567 -3.139 2.833 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 5.408 -5.213 2.843 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 5.034 -1.677 5.143 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 0.145 -1.103 1.408 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 0.121 -4.457 -3.323 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 -2.618 -16.647 -18.608 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 2.175 4.277 3.364 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 8.367 6.189 -7.328 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 25.121 -10.664 0.966 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 -3.831 -2.623 -0.636 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 -5.012 12.148 -3.375 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 -5.254 -6.181 -8.004 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 -1.199 -0.661 0.556 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 -33.195 -14.179 -5.248 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 -7.696 30.864 -15.427 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 -1.007 0.269 -9.125 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 13.866 -6.118 1.532 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 1.987 -5.751 -24.397 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 1.352 4.531 5.266 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 10.673 -0.895 13.040 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 33.675 8.503 2.859 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 6.588 0.500 -3.611 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 0.580 5.718 14.944 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 -1.030 8.603 5.405 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 2.527 -2.593 -3.166 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 -1.096 -7.731 -3.044 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 15.012 0.270 -2.130 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 4.076 -0.774 -2.254 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 12.271 2.016 20.835 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 -5.573 3.968 7.855 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 -9.890 -4.000 2.222 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 -1.144 -1.840 -8.413 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 -23.248 15.719 10.996 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 2.324 1.359 -2.583 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 8.770 -28.470 -12.388 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 6.728 -21.091 -9.742 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 -9.564 5.464 -10.378 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 -5.749 10.215 -10.282 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 -5.554 2.955 -8.639 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 -1.675 -3.320 -1.644 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 -10.595 -7.780 1.223 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 4.687 -4.452 -6.377 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 3.036 -14.178 2.015 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 -2.712 -11.218 9.259 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 -3.183 -10.699 14.238 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 -0.371 2.267 1.210 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 3.816 2.002 2.287 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 0.296 0.110 2.177 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 0.740 -1.552 -3.360 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 2.155 0.167 -2.985 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 3.195 -3.209 -6.562 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 -6.128 -5.610 3.837 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 15.548 -1.975 5.551 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 11.846 -9.677 -12.492 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 -4.619 -2.673 9.174 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 -26.531 -13.321 -4.225 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 17.301 9.007 23.076 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 1.003 -2.344 1.250 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 7.723 -15.809 -6.153 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 -2.749 9.663 -9.450 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 -6.242 -4.206 -3.741 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 -20.992 7.087 -1.165 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 8.454 0.849 -6.262 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 -3.929 -0.739 2.900 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 -4.036 0.170 3.995 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 -4.172 -1.082 3.346 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 2.473 7.244 0.651 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 13.597 6.556 -20.748 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 6.292 2.075 -5.132 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 0.834 -0.120 -1.744 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 18.622 -1.237 4.880 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 -5.347 3.134 5.179 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 1.950 2.580 -2.250 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 -8.032 5.077 13.062 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 -21.596 -7.967 -7.042 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 7.484 -5.123 -2.302 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 5.571 26.028 21.367 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 -26.614 6.514 -4.041 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 2.787 -2.945 5.008 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 -10.331 16.489 5.619 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 -15.777 -15.664 8.918 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 4.101 -1.219 7.812 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 0.959 8.440 -1.444 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 4.617 -5.104 10.994 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 7.758 0.314 2.006 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 11.151 0.479 -0.228 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 1.407 8.656 6.630 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 0.115 5.648 1.709 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 -3.226 11.351 11.848 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 -23.379 -15.832 -22.055 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 -4.025 4.513 1.965 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 -21.287 9.501 20.610 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 -3.207 7.357 2.326 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 -1.394 -9.541 -1.390 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 12.706 -3.505 -20.952 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 9.620 -18.713 42.225 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 1.162 -0.960 4.646 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 -2.552 11.315 1.376 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 9.787 -2.561 2.097 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 4.243 -2.311 2.942 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 12.872 8.793 -6.036 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 4.355 -15.299 -5.895 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 -4.866 -5.516 0.256 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 -0.642 7.647 5.681 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 -5.895 -18.233 -7.712 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 -5.857 3.739 -6.109 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 -6.345 -2.587 -12.156 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 -7.403 -8.284 -18.680 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 -0.549 -1.064 3.777 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 -1.838 0.921 -5.379 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 3.166 -10.374 1.824 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 0.036 -3.112 2.289 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 4.857 7.372 8.919 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 -30.846 7.402 -11.506 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 -4.381 -3.896 2.155 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 -7.817 0.473 -28.456 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 5.643 -9.254 1.419 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 2.506 1.031 -2.781 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 3.122 7.746 -2.166 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 -3.538 -3.677 6.306 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 -0.414 4.523 -3.765 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 -3.816 9.191 -2.131 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 8.200 -4.054 -10.423 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 1.982 1.215 2.698 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 11.848 2.044 18.178 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 -1.505 2.253 2.315 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 1.663 5.908 4.947 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 -6.876 2.786 -16.419 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 -4.400 -10.462 -5.019 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 5.317 2.653 4.979 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 -5.280 -7.947 14.203 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 16.710 9.390 -4.759 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 0.076 -3.745 -1.232 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 9.636 8.008 7.006 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 -5.002 49.936 4.289 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 -0.995 0.338 3.982 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 -3.857 -4.706 5.239 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 0.534 -1.861 -4.393 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 7.996 7.532 1.225 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 2.031 -6.022 -6.105 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 -4.989 0.034 -4.616 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 -1.994 5.337 6.128 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 -3.107 1.720 5.932 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 14.244 3.382 12.696 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 -1.901 -0.713 -0.366 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 -4.391 -14.290 -5.962 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 -20.088 -0.345 -3.005 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 -2.441 -5.331 2.191 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 -9.259 -7.649 2.802 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 3.973 -0.649 0.468 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 2.896 -0.500 -2.054 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 16.967 -12.802 -1.454 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 -9.909 0.161 5.892 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 6.312 -4.066 -7.939 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 13.281 15.256 -6.485 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 12.794 -14.768 15.601 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 5.382 1.916 2.428 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 17.431 -15.277 13.024 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 17.816 6.781 -0.005 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 10.494 2.097 4.102 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 13.896 -28.966 20.056 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 9.670 8.392 15.438 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 -1.610 4.258 3.735 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 4.230 6.837 -7.023 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 -0.597 4.423 1.554 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 6.939 7.943 1.964 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 9.413 0.434 0.233 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 12.896 14.602 8.537 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 -1.239 3.109 2.964 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 -4.747 1.842 17.081 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 -6.341 6.447 -31.343 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 -2.228 -5.234 -8.705 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 7.114 -0.063 -18.189 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 -4.599 -13.930 26.132 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 -0.387 0.146 0.505 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 -5.084 -1.574 3.050 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 3.978 -5.974 -2.112 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 1.507 5.215 -3.442 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 -3.700 -0.636 -4.033 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 3.285 9.744 -4.377 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 -5.739 -1.593 3.574 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 16.498 9.136 11.620 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 -25.204 -5.492 -28.711 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 0.784 2.423 5.502 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 -11.448 3.495 -2.500 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 3.942 12.255 -11.036 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 2.596 2.733 6.767 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 16.318 14.526 -2.834 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 -8.082 -5.745 5.557 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 -2.395 5.927 8.976 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 -2.847 7.390 16.620 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 -3.639 -7.189 2.752 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 -8.426 1.407 3.469 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 -11.463 2.598 18.682 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 12.136 -10.817 9.824 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 -3.308 -2.348 5.033 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 15.645 -1.864 -1.079 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 -10.807 14.442 -4.305 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 -0.746 -0.621 1.613 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 13.798 20.975 3.653 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 27.787 -6.517 16.282 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 2.921 -6.588 -2.846 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 2.274 -6.212 -3.286 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 -20.908 -31.386 7.662 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 3.500 6.921 -0.460 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 -15.798 11.974 -8.182 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 21.414 -16.062 21.939 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 2.772 2.519 4.248 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 -4.973 -0.444 6.842 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 8.399 -8.639 5.801 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 0.213 5.057 5.627 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 1.765 14.163 8.093 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 -0.772 3.825 4.783 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 -0.545 -0.733 0.121 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 17.400 -12.115 -6.497 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 -8.429 9.937 1.888 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 2.541 -1.072 10.461 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 -10.918 -8.176 24.362 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 9.040 0.859 2.758 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 -1.031 -3.453 -0.251 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 -26.901 -11.920 -14.931 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 6.580 -11.006 -4.617 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 -5.012 -6.887 -1.717 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 7.739 27.786 5.876 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 -5.522 -12.958 1.122 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 -10.973 -2.712 -0.615 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 -21.174 10.050 -15.092 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 0.390 -11.734 -12.479 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 5.429 5.063 0.765 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 -0.966 1.115 -26.838 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 1.477 9.774 20.316 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 5.410 -6.540 0.603 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 16.209 16.348 4.375 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 -17.918 8.971 -4.622 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 -3.400 -0.364 -0.254 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 -7.573 -9.220 3.152 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 -4.431 -3.537 1.249 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 -4.184 2.921 6.039 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 -0.705 -16.350 -7.984 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 11.794 -6.392 -5.864 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 -3.578 -0.480 1.999 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 10.069 -4.481 -0.439 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 1.426 -4.386 -0.785 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 3.702 0.702 5.041 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 -6.934 2.775 -5.712 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 11.314 -5.174 4.291 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 -5.996 -1.312 0.064 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 -3.962 -0.509 3.159 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 -15.775 -12.741 3.538 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 9.643 2.585 -2.567 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 -1.331 5.131 -1.399 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 9.767 6.994 -5.035 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 2.386 5.185 -1.613 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 -0.358 10.187 -5.908 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 -0.818 4.991 8.981 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 -3.633 5.864 -7.696 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 15.858 16.555 -28.283 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 3.841 2.525 -42.058 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 0.581 -3.581 -3.494 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 -0.552 -0.725 2.551 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 -18.930 -0.207 10.262 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 2.985 9.245 -1.868 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 28.630 12.507 10.197 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 7.354 7.611 2.015 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 4.709 3.298 -2.294 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 6.187 -4.010 13.797 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 2.721 -9.926 19.259 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 -3.308 1.200 2.136 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 32.734 -12.083 10.601 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 -14.431 -7.485 10.411 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 -3.458 -7.461 0.085 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 -12.141 -12.256 5.755 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 -20.604 -12.240 -7.268 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 -3.869 -1.089 3.170 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 10.281 -1.886 15.082 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 0.722 -14.110 -1.733 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 -5.424 -4.397 0.852 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 19.676 -13.163 -8.458 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 -3.593 8.413 4.486 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 -4.586 6.946 -3.443 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 11.267 4.138 -19.641 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 -10.632 13.894 4.511 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 7.279 -1.675 -2.005 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 10.617 -2.964 -14.915 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 12.479 -12.140 4.539 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 -0.545 -7.015 -5.338 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 -20.727 -25.153 -0.784 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 -3.879 16.290 -9.612 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 0.280 6.745 -2.298 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 8.632 -3.290 -21.741 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 1.706 -9.287 12.986 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 -1.444 -4.660 0.488 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 7.441 -1.308 6.907 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 0.890 -16.810 -0.182 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 -10.351 5.739 -2.179 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 -13.575 5.611 1.384 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 -4.304 3.229 -0.430 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 6.265 -4.484 7.591 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 11.044 -5.876 -20.258 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 -7.716 10.800 16.122 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 -0.266 3.087 -1.752 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 5.110 7.087 -4.424 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 10.555 2.690 3.220 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 -2.819 -1.748 -7.760 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 16.888 20.135 -1.553 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 0.002 6.191 11.640 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 -5.679 4.051 7.964 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 -2.436 -14.513 -8.611 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 23.463 16.445 8.953 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 0.411 3.730 -2.883 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 9.011 3.671 11.444 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 -12.127 -28.184 -11.700 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 -0.487 -3.823 1.574 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 15.497 -5.413 8.455 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 14.062 -9.433 -17.294 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 7.457 0.672 -1.723 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 -7.669 -10.698 -17.392 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 6.482 -2.797 -7.919 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 10.239 -6.918 -3.859 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 13.656 -5.523 -7.951 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 5.041 -7.003 7.133 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 -4.103 0.077 1.248 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 -21.087 -11.797 0.419 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 -4.384 16.003 -4.915 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 3.066 2.105 -5.705 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 -2.382 -7.262 -9.507 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 -30.011 7.647 16.027 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 4.774 3.660 7.391 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 -17.012 16.127 15.731 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 -12.959 -12.654 4.878 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 1.031 -6.682 -2.604 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 0.548 -3.429 -6.067 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 -2.305 -1.230 -1.447 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 3.931 -4.226 -2.798 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 2.559 9.320 -9.583 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 -9.291 -10.474 -5.644 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 6.580 2.984 3.023 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 4.873 19.477 6.734 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 11.779 -1.436 -7.088 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 -8.880 -4.060 2.042 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 -0.151 -8.753 -3.162 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 0.325 -8.653 -4.727 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 -0.399 -4.448 -2.071 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 1.752 -13.422 15.292 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 -14.567 9.036 1.749 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 -4.162 0.642 0.958 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 -23.277 -9.927 9.148 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 -9.520 25.194 -3.218 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 -8.795 2.045 -3.635 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 8.615 -6.313 -29.618 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 10.563 -22.347 -11.492 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 -6.577 -4.683 5.303 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 0.213 -10.981 -3.037 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 -12.856 -4.815 -2.758 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 0.991 2.597 -1.681 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 27.710 -6.298 -2.725 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 -15.313 7.937 -1.164 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 -0.272 2.955 7.203 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 13.546 11.554 -3.768 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 8.549 3.439 14.522 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 2.219 -2.747 0.727 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 -0.157 -3.091 9.083 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 12.704 7.703 27.317 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 6.804 1.799 -1.622 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 -4.143 -12.401 6.647 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 5.170 -26.213 8.356 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 -2.783 -2.966 -4.546 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 -6.166 7.832 15.961 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 -11.478 -3.880 -5.123 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 3.711 -1.930 0.152 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 5.082 18.445 -18.309 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 2.318 6.644 -10.647 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 1.639 0.653 2.987 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 -4.861 -0.674 6.962 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 11.311 7.380 -1.706 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 2.663 2.044 2.610 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 8.911 -0.046 -10.159 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 9.222 24.610 -8.426 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 1.843 -3.954 0.661 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 0.665 -10.614 2.237 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 0.647 -0.972 6.768 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 6.288 -2.990 -3.733 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 -0.158 -4.385 0.766 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 2.634 -10.661 -2.350 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 7.042 2.245 2.333 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 -1.632 9.047 -1.338 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 -5.770 -6.296 -11.019 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 -7.859 -9.348 2.502 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 15.691 5.305 14.903 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 -21.476 11.965 -7.631 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 0.987 -4.193 2.384 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 10.364 5.612 6.759 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 -4.600 -1.094 -7.573 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 -2.109 0.984 -0.406 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 8.612 13.247 4.988 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 -8.676 10.961 -7.214 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 0.304 -3.339 0.695 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 -11.815 -0.344 -15.558 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 15.053 -2.508 10.011 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 -1.830 8.630 -0.378 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 0.952 18.898 -3.464 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 -7.696 4.757 3.149 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 -8.086 4.406 -0.678 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 -2.668 12.433 -2.323 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 -7.225 -0.946 -4.935 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 4.318 -5.783 4.724 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 -4.831 -3.913 9.063 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 6.385 -8.827 2.937 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 10.853 0.710 -3.052 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 4.285 -1.201 -6.990 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 28.926 -2.744 5.939 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 -2.758 -1.470 -0.169 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 -0.049 -17.980 -10.319 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 -3.118 2.989 4.554 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 -4.977 5.607 -0.808 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 -3.536 3.977 -1.806 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 -7.400 4.302 1.019 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 -2.410 -2.683 -5.325 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 9.392 -3.768 -1.189 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 -1.380 -8.375 -9.018 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 -1.385 2.610 0.264 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 5.435 4.853 -10.964 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 11.798 5.370 0.399 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 -2.440 0.939 -1.373 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 1.652 7.146 -1.755 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 -18.411 -25.251 0.442 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 1.061 -2.882 -2.396 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 21.139 -17.280 14.689 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 1.133 -0.521 -2.467 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 4.033 0.469 -1.053 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 4.322 1.044 -0.568 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 -9.564 -9.767 -11.151 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 7.787 -1.629 6.563 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 9.976 2.364 3.660 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 -9.107 -28.678 -1.697 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 -4.108 4.645 -2.841 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 -14.285 12.773 11.242 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 -15.658 -23.871 10.369 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 1.025 6.160 6.111 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 -14.645 -12.229 -13.102 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 26.297 -0.403 1.645 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 -14.443 4.809 3.151 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 -13.257 6.992 0.603 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 -25.647 -0.070 0.533 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 -6.425 2.110 -1.105 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 4.769 -8.891 3.117 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 -19.981 6.096 -7.720 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 5.042 1.240 -3.377 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 0.593 31.195 15.611 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 8.352 -2.568 -5.983 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 0.730 -2.233 -4.940 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 18.139 14.105 0.750 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 8.230 5.468 -8.100 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 10.679 -2.531 -0.877 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 -15.952 -13.632 22.201 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 32.280 -2.701 -15.631 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 -3.469 -0.534 -0.573 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 6.663 -20.720 2.288 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 8.481 10.809 -6.132 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 -3.918 0.890 4.089 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 -10.913 -9.825 4.707 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 -0.964 4.182 5.226 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 -7.282 5.187 3.506 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 -2.816 15.612 9.626 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 -0.670 -20.561 -10.044 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 6.811 8.490 -0.221 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 -3.929 -12.688 1.128 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 0.687 -5.038 6.515 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 -7.082 2.734 -5.193 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 -8.878 6.199 5.588 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 6.218 2.298 -9.477 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 -2.893 -4.055 0.941 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 -8.131 0.506 1.937 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 -2.069 -10.264 3.279 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 0.844 10.150 5.667 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 -24.392 -5.647 -14.737 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 14.947 17.759 -33.221 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 -2.610 5.138 -10.388 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 7.298 8.984 -0.686 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 -23.211 -20.947 -19.247 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 2.264 -0.035 -3.553 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 9.558 -5.052 -16.188 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 -22.519 -11.414 -7.425 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 3.156 5.044 -5.331 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 -12.263 24.693 -5.097 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 -24.766 -4.851 5.165 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 -1.542 0.220 1.673 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 2.244 21.776 -3.106 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 11.863 -5.674 16.295 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 5.016 -1.168 -3.421 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 -15.702 -1.734 10.782 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 3.321 -1.633 9.802 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 5.606 -4.515 -1.486 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 0.540 -4.521 2.145 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 4.432 -7.791 -0.834 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 10.525 2.617 0.567 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 8.944 1.956 0.858 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 17.453 2.632 -16.476 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 -3.361 0.169 -0.317 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 0.496 1.770 3.993 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 24.582 5.838 10.419 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 -0.775 6.352 -6.511 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 -0.877 0.223 -1.713 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 -0.535 2.479 -14.474 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 -3.095 -1.297 2.084 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 -9.718 9.862 -23.881 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 -6.061 -3.977 9.254 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 1.098 -13.615 8.072 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 8.782 -22.507 13.533 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 -9.520 -1.220 -0.643 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 -0.572 8.675 4.807 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 -4.635 19.531 -8.431 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 5.026 0.774 20.308 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 -0.894 1.842 8.724 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 -6.246 2.274 1.126 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 1.745 -0.195 6.083 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 3.523 -5.518 5.987 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 6.551 -0.580 8.482 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 -5.558 -12.234 3.695 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 1.209 -1.730 -3.306 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 25.084 -16.906 -7.960 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 7.519 -12.439 -10.317 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 -1.249 -4.267 3.183 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 -5.106 -17.417 -17.293 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 -5.563 -30.214 0.128 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 0.489 -1.040 -1.806 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 -18.918 -13.449 -2.426 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 -13.514 7.298 5.885 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 -5.906 0.948 -5.150 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 18.895 -20.251 -7.544 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 -26.803 5.655 16.245 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 -0.811 -0.441 1.741 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 24.175 -21.588 13.179 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 -9.197 -5.697 -0.372 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 -8.547 0.331 2.331 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 -25.943 -3.813 9.470 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 -5.010 -10.495 -11.632 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 4.832 2.175 -4.121 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 15.180 -17.041 9.817 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 6.115 6.095 11.862 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 3.263 -1.309 0.063 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 -6.042 3.435 -0.302 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 2.975 7.197 4.232 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 -3.308 -1.489 3.490 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 -10.046 -6.330 9.075 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 8.094 6.174 -20.390 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 -7.249 -5.997 -2.152 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 -1.555 1.380 -5.202 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 -11.284 -0.161 0.779 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 -2.449 4.002 -1.593 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 -3.759 5.818 0.123 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 -5.087 2.976 -2.703 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 -7.016 0.349 0.682 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 36.477 20.973 -4.391 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 -3.838 2.663 0.920 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 -0.964 1.350 0.416 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 9.392 -14.457 -1.955 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 -4.062 -7.341 -4.335 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 6.513 -1.431 0.155 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 -20.107 11.078 -26.592 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 13.557 -2.894 9.052 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 -5.577 -1.046 2.590 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 1.754 6.530 17.972 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 -4.644 -11.900 4.914 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 -3.606 4.485 -3.313 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 -16.606 16.646 -5.826 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 11.601 -3.389 5.712 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 0.301 2.087 -0.494 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 -19.893 5.975 -7.644 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 1.138 19.380 0.526 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 1.693 2.116 -0.452 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 5.829 11.789 -4.464 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 -10.725 32.458 -6.947 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 -5.887 7.627 -4.670 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 -18.915 12.236 -2.109 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 3.586 -3.727 -3.398 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 2.221 2.115 -0.875 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 8.647 0.334 -8.830 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 8.295 13.961 -2.057 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 -0.968 -5.828 6.931 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 -7.442 4.683 3.910 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 2.725 -13.778 1.779 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 8.170 2.954 0.468 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 -18.415 16.654 -13.965 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 -0.962 20.705 24.230 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 -4.275 7.028 -4.670 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 3.721 -4.005 -15.439 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 -15.314 11.940 -16.850 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 1.091 5.604 -4.619 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 3.097 3.716 7.517 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 -9.121 12.694 -3.892 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 6.017 -1.872 8.144 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 -20.554 -27.604 3.455 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 11.060 6.334 -3.604 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 10.469 4.781 -0.990 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 15.454 -29.438 5.681 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 -23.488 9.503 -12.029 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 5.077 -0.546 0.789 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 10.599 17.840 -6.561 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 0.235 -8.804 6.674 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 0.043 2.504 -1.175 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 -5.859 -2.210 -0.969 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 -8.950 -3.606 2.272 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 6.148 -4.034 -3.101 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 0.262 -8.562 -7.064 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 5.037 3.139 -12.645 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 -0.148 -14.029 3.794 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 -3.636 -4.820 15.644 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 1.276 -11.130 13.089 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 6.080 3.234 5.527 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 -1.817 15.803 4.594 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 0.671 -5.040 12.471 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 8.157 -2.217 1.005 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 6.354 6.020 3.231 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 -3.118 -3.891 2.026 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 -3.764 -0.538 -4.243 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 -3.483 -7.795 5.169 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 1.673 -6.119 -15.313 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 -1.867 -3.261 1.706 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 3.714 -5.880 -10.994 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 10.430 -8.963 -5.592 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 -2.057 -3.134 -0.925 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 2.347 -9.161 -7.311 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 5.485 8.566 2.468 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 1.216 -6.053 2.697 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 5.928 2.060 -8.988 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 -13.008 0.945 7.489 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 1.103 0.737 -0.008 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 5.164 -3.003 -1.056 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 6.357 -10.302 -10.007 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 -0.170 -2.045 -5.600 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 1.460 -2.487 1.278 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 1.890 1.956 13.947 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 -1.990 0.499 0.997 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 5.342 -15.513 -1.631 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 -10.996 21.174 4.051 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 -0.185 10.746 1.390 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 4.318 -18.085 -10.002 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 -3.495 13.998 -23.606 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 -1.960 -3.026 1.570 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 7.595 5.554 -0.359 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 -23.962 10.640 16.235 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 -0.425 -3.598 -0.840 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 -4.685 -11.477 -15.530 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 18.741 -14.294 -0.537 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 -3.419 -10.915 3.575 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 -22.045 -24.511 4.743 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 7.488 -6.534 5.121 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 -6.197 5.789 0.238 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 -13.860 -3.489 1.315 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 6.624 -0.600 11.682 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 2.179 2.348 3.183 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 -11.422 16.194 -11.811 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 -8.109 3.795 6.427 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 -0.346 1.693 2.900 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 20.005 3.762 -11.558 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 -31.962 5.064 11.336 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 9.357 2.707 7.299 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 -12.624 -8.713 0.079 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 4.991 2.717 6.102 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 -2.694 4.705 -0.166 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 -3.023 -8.763 3.739 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 -5.863 -18.130 14.336 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 -4.270 -7.327 1.167 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 1.599 3.588 8.254 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 -20.523 -2.981 -6.246 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 1.834 -0.163 12.740 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 -6.075 -1.478 2.732 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 10.374 1.825 25.059 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 -3.323 3.831 -0.572 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 -4.039 1.248 -14.644 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 7.635 -3.575 -6.128 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 -6.149 8.794 4.365 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 -9.862 -27.009 -12.513 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 29.749 7.235 1.221 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 5.676 -0.957 -4.323 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 -10.785 -14.972 -14.457 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 2.710 -1.870 9.955 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 -1.913 4.076 -5.193 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 -11.718 17.635 -13.925 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 9.379 18.697 8.904 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 4.961 5.033 6.020 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 5.521 -10.027 6.593 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 -0.221 13.909 -5.626 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 -8.344 9.070 -3.356 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 16.370 0.486 -19.001 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 -26.037 6.572 -10.158 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 1.039 3.911 -3.479 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 24.551 -9.042 4.287 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 10.365 -10.603 9.284 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 0.782 -3.274 1.449 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 21.162 13.640 14.739 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 6.139 -1.210 24.349 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 -1.772 2.666 -5.295 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 8.230 -10.763 -11.581 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 -3.871 1.117 -21.394 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 0.726 -4.083 -5.506 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 -1.987 -14.464 -12.020 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 1.654 1.853 -1.261 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 1.851 6.926 2.323 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 9.258 7.759 17.138 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 -8.783 -14.278 4.680 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 -2.913 4.992 3.367 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 -8.657 -8.471 18.587 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 8.670 12.619 -0.280 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 4.343 -1.095 0.823 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 3.820 -6.997 -5.386 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 27.120 12.652 4.448 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 -11.484 -0.985 6.863 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 -14.431 2.797 14.379 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 13.948 -13.113 12.177 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 -9.608 -4.062 3.393 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 -16.188 9.197 7.542 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 -23.187 -13.266 -5.671 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 -1.867 2.235 4.315 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 -15.487 23.051 8.217 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 -8.347 -4.056 -21.169 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 -0.950 1.613 -1.566 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 -3.498 1.482 -1.510 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 1.598 5.191 -12.560 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 -1.836 1.440 3.045 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 11.272 -2.665 3.039 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 -2.504 -4.120 1.238 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 5.412 -4.018 4.520 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 7.727 3.429 -11.684 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 2.215 -7.991 16.921 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 -0.305 3.787 2.174 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 -0.369 18.136 17.961 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 -7.595 -12.011 7.515 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 -1.482 -1.063 -2.538 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 -0.055 16.351 -3.815 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 -1.234 -2.689 -3.260 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 1.945 2.393 1.011 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 17.980 7.397 -2.279 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 -20.734 -16.853 7.616 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 5.098 -1.745 1.949 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 -0.942 10.044 -5.474 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 1.546 17.754 -5.934 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 1.544 4.456 -2.853 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 1.444 10.510 4.593 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 -4.172 -5.567 4.675 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 -0.518 4.089 1.214 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 -4.809 12.313 -0.282 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 5.399 0.313 5.671 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 2.710 -1.089 -3.043 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 -9.547 7.260 3.358 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 -27.461 6.170 18.154 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 4.467 0.501 5.360 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 4.163 -3.204 7.652 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 -10.274 -7.393 12.224 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 6.076 -0.884 3.890 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 -0.265 -2.808 -2.918 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 4.157 -1.037 13.112 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 3.896 7.776 -4.260 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 25.746 -1.553 2.769 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 -12.101 5.972 -3.963 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 -5.257 0.988 -6.155 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 -2.197 7.214 -3.911 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 -15.912 -3.417 -1.684 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 -0.615 2.123 -2.321 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 -0.549 -0.695 21.651 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 7.109 3.200 -5.125 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 -0.315 -8.104 -0.852 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 -10.037 3.183 0.743 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 -7.054 44.363 -5.210 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 -6.537 -1.507 -3.006 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 -19.483 -15.696 -20.921 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 -4.987 0.041 -3.183 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 0.288 0.881 -3.103 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 -5.225 13.626 7.371 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 10.092 22.804 -4.283 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 1.862 0.286 2.995 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 16.521 -8.058 -19.443 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 16.206 6.270 -10.427 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 -3.451 3.382 6.748 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 -1.213 -28.854 14.428 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 -15.152 -3.876 3.198 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 -4.556 -4.652 0.181 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 27.273 15.485 -2.794 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 -35.831 -22.034 3.793 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 4.056 -2.451 0.114 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 7.616 -0.648 -0.427 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 -4.421 -1.380 5.081 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 6.812 -1.278 -0.997 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 30.312 8.218 1.134 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 15.415 5.453 -2.237 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 0.954 -3.053 -3.563 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 -6.660 1.187 -4.658 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 6.523 -1.437 -8.761 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 -0.280 -0.926 -8.615 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 -9.035 4.291 -9.071 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 -6.034 4.755 -10.236 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 -1.331 3.703 0.201 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 -1.529 3.679 -2.811 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 20.080 -26.501 3.811 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 -9.276 0.081 -1.529 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 -19.693 -1.766 22.164 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 -0.623 -5.676 16.380 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 0.870 2.878 -6.193 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 4.386 1.114 -10.287 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 -15.617 17.284 7.428 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 1.949 -1.737 -2.999 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 -5.725 1.812 -5.807 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 3.159 0.262 -3.914 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 0.902 1.841 -2.728 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 7.405 -15.482 3.173 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 8.402 11.666 1.080 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 3.884 -5.728 -6.672 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 13.258 -15.282 7.587 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 4.804 -9.001 1.676 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 5.302 -7.846 -0.035 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 4.844 -1.617 -0.654 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 6.401 -19.493 1.744 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 -4.510 -8.310 1.500 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 -4.017 -6.582 -0.159 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 -7.451 -7.928 -5.260 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 10.322 -4.936 -3.257 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 15.699 -4.858 9.406 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 -10.337 13.042 -3.874 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 -4.424 4.677 -1.140 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 -11.874 -10.463 -5.754 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 -15.979 11.392 4.331 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 8.410 -1.281 3.416 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 12.264 -8.751 5.097 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 7.426 -3.539 3.755 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 -3.019 -4.864 -1.901 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 -3.173 -19.773 -7.344 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 -10.538 -7.306 2.289 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 -1.655 -3.675 4.496 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 -3.661 -3.944 1.474 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 -5.986 0.144 9.632 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 5.469 3.159 3.705 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 10.701 5.107 27.021 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 -12.626 -19.049 14.733 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 6.581 6.892 1.828 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 12.854 9.727 -1.708 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 10.747 23.912 8.549 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 0.175 0.490 4.498 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 4.407 -0.776 3.804 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 9.984 0.450 -0.816 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 2.374 3.767 -1.985 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 3.115 -3.214 -6.844 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 -6.405 6.342 -3.107 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 1.079 -2.755 -0.194 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 -7.449 -19.089 -17.721 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 -1.884 -10.623 -7.693 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 -0.847 -3.408 1.446 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 4.141 -1.875 8.446 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 -5.223 3.854 9.273 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 6.324 -1.278 -0.093 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 32.094 -3.791 -1.692 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 -17.878 1.167 1.513 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 -10.502 -2.307 3.040 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 6.922 -11.173 3.605 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 -7.024 10.282 -6.708 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 2.934 1.256 1.834 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 -3.062 -21.340 -16.026 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 0.093 -6.877 19.122 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 -0.419 -0.245 2.388 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 5.375 -16.030 5.060 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 -4.700 9.038 2.386 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 2.980 -2.639 -2.486 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 0.307 0.504 1.471 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 1.257 -3.126 -5.592 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 0.102 -7.290 2.234 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 -9.254 18.816 17.400 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 0.018 10.600 6.923 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 -5.977 -6.214 -5.529 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 0.186 -16.640 -12.767 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 -15.717 11.265 -1.838 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 2.462 0.625 4.132 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 -25.356 -0.979 4.234 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 2.740 2.401 5.472 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 1.948 -0.148 2.087 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 2.797 3.302 17.916 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 -0.236 2.225 10.747 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 2.486 -2.828 -7.206 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 -2.709 13.112 6.794 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 -1.858 -16.276 -16.453 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 1.933 10.061 -8.654 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 2.934 -15.366 -17.959 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 5.273 -2.171 -10.428 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 -0.721 -2.785 4.345 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 -5.178 4.259 -4.054 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 -6.050 5.496 -2.298 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 -2.649 7.792 -3.564 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 21.018 10.231 -9.630 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 21.468 -4.952 22.983 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 2.333 4.445 -5.494 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 17.152 15.757 22.055 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 16.531 -22.823 0.622 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 4.511 -4.945 1.563 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 -10.380 -13.980 -2.159 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 12.594 -5.387 -14.242 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 -2.786 -2.316 -2.330 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 6.200 12.046 -3.342 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 18.613 7.401 2.985 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 -0.631 0.448 2.405 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 -1.274 -0.773 -2.355 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 10.498 4.523 -21.142 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 3.335 -0.727 1.358 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 16.746 5.834 12.383 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 1.735 -13.881 1.624 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 -4.267 -6.866 -2.265 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 0.384 -4.176 -5.407 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 -0.326 -2.889 -11.303 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 0.257 -0.598 -4.092 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 5.982 -19.132 8.115 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 -1.290 -7.930 -13.893 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 -2.681 -1.874 2.206 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 3.982 -7.669 0.728 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 -5.869 -0.622 -7.032 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 -10.715 0.253 -4.063 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 -18.245 4.353 -11.373 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 -21.269 -4.463 -10.076 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 -4.235 -6.499 3.722 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 4.459 -14.909 -4.869 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 -14.915 9.914 -1.531 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 2.682 -0.562 1.845 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 1.777 -1.165 5.932 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 0.998 0.955 -0.444 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 -1.980 -9.101 -0.288 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 3.368 -14.822 -1.328 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 -14.720 11.848 6.324 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 4.180 3.290 2.032 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 -1.751 5.127 -5.533 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 7.454 -7.314 11.023 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 -1.487 2.021 -4.118 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 3.488 -5.085 -25.457 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 -2.260 5.927 -5.773 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 4.142 1.294 7.392 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 11.308 2.178 9.315 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 -9.361 -6.251 2.817 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 -1.723 3.624 -0.251 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 -15.864 10.412 -24.379 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 -13.312 9.255 33.519 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 1.904 2.552 -2.882 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 -19.227 -7.753 0.080 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 14.642 6.104 -12.881 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 -4.030 -0.817 -1.420 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 -3.221 1.056 -2.751 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 0.804 -27.899 14.065 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 0.043 0.265 3.321 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 2.393 1.733 2.721 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 -0.384 -0.772 6.738 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 5.301 8.491 1.150 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 -1.140 -6.907 1.470 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 7.508 2.763 -15.340 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 -5.264 4.647 4.014 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 -22.232 -3.086 -2.100 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 11.984 15.075 -12.476 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 0.655 -4.472 6.506 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 -14.698 8.457 13.047 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 4.736 -7.662 7.989 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 -3.256 -1.802 5.033 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 -17.721 -8.669 -11.560 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 -2.072 6.964 26.092 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 3.647 1.988 -3.221 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 -3.570 -1.815 2.845 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 2.115 -9.686 12.994 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 2.448 -0.333 3.952 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 -1.910 8.522 13.671 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 4.690 5.900 7.117 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 -2.110 2.157 -1.173 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 -10.393 3.406 7.487 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 0.048 -5.975 0.246 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 -1.026 -5.648 -2.285 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 1.673 -1.658 1.717 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 15.426 5.622 -3.581 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 4.957 1.908 1.292 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 30.441 13.245 4.944 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 -27.087 -2.948 -13.495 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 -3.182 2.793 -0.467 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 -2.422 12.758 1.764 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 -3.697 0.652 -6.532 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 0.692 0.599 -1.170 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 -12.546 -5.779 7.284 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 -3.040 23.726 1.765 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 7.218 3.311 -3.544 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 1.042 12.166 0.615 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 0.202 9.121 -27.132 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 -3.619 -4.416 -1.359 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 5.764 2.526 -7.353 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 -10.957 1.782 21.156 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 -1.400 3.739 3.920 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 -23.385 14.387 2.826 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 0.232 15.049 -9.154 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 -0.939 1.969 -5.391 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 9.727 4.816 -12.170 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 -10.391 -29.427 -5.554 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 -2.067 -4.165 2.386 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 -10.708 7.832 5.410 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 6.866 -17.926 -23.076 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 -2.625 2.189 1.473 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 -2.471 2.136 1.022 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 -2.664 4.184 0.854 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 0.581 -0.290 -4.811 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 -6.787 -8.868 -0.167 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 15.423 12.080 -2.686 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 0.900 1.737 -0.568 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 -9.885 1.186 10.903 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 -17.593 -1.364 33.759 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 -2.364 -2.759 5.493 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 -5.496 -23.277 4.211 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 9.715 -24.259 3.484 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 -0.137 1.977 -5.398 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 -4.146 3.855 -1.633 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 -2.809 1.902 0.049 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 1.065 4.208 -4.449 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 -1.756 -8.936 -18.448 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 6.101 -0.914 14.194 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 2.373 -2.849 0.337 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 -18.078 10.616 -3.574 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 -10.970 10.005 -2.211 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 -2.022 -0.182 3.525 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 6.146 2.466 4.463 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 12.352 6.421 7.596 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 -3.949 -1.200 -6.231 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 -11.402 0.306 -2.844 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 -18.264 -4.446 2.248 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 6.015 2.791 1.958 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 21.125 -4.507 1.244 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 8.790 22.211 7.023 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 2.307 4.465 2.830 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 14.812 11.123 2.062 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 0.969 3.469 22.653 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 -3.814 -11.391 -6.448 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 -9.750 -18.756 -10.814 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 -14.144 -5.543 3.510 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 2.405 -2.978 -1.949 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 -4.205 -4.926 -16.518 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 -9.289 -12.853 12.501 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 3.048 4.973 4.043 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 6.221 1.134 20.936 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 18.785 8.882 -6.451 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 0.498 -1.989 -4.107 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 26.448 -28.789 -1.330 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 4.912 -0.140 7.470 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 0.608 -0.248 3.359 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 2.690 -1.300 0.788 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 3.717 -4.012 0.744 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 -0.467 -1.465 -3.151 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 -2.682 -19.062 8.519 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 9.862 -1.879 4.750 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 -5.087 -4.519 1.803 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 -13.717 -8.224 -2.096 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 4.140 -1.435 3.052 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 -0.367 -3.251 -0.420 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 -0.742 -0.718 -1.845 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 -22.346 -6.159 1.310 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 -0.439 0.302 3.056 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 -3.038 -5.233 4.175 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 -10.156 -13.543 3.934 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 -3.797 0.650 -5.519 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 0.293 -1.296 -12.641 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 -9.766 -2.472 16.194 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 -4.603 -7.596 -1.529 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 -10.240 -6.978 -2.858 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 -19.728 5.861 1.479 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 -5.330 2.453 3.177 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 -27.274 18.866 15.952 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 -5.177 -9.554 1.362 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 0.139 1.747 -1.814 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 6.123 20.799 0.738 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 -1.682 -7.002 15.699 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 -0.367 -4.459 0.055 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 15.304 -15.875 -16.744 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 -19.800 2.715 -12.570 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 2.433 2.532 0.879 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 7.252 2.724 2.664 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 -13.326 -15.270 15.824 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 -0.145 -0.170 14.280 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 -11.717 23.388 15.179 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 -10.605 24.870 17.708 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 -3.397 6.271 -1.749 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 18.036 14.993 -0.748 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 -2.081 -7.529 6.484 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 2.372 -1.287 4.461 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 8.682 -4.909 0.289 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 -4.194 -3.887 2.936 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 0.165 3.892 1.710 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 -3.189 -8.815 -3.407 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 23.925 17.784 13.439 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 -2.409 -7.150 4.174 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 20.162 18.284 -9.565 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 -11.935 -2.446 34.782 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 2.384 6.376 -0.913 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 11.026 2.698 7.155 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 4.078 15.864 8.719 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 2.963 -2.175 -2.481 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 -3.367 -8.644 -17.655 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 5.105 -18.433 -10.068 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 -1.042 1.656 1.052 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 -2.202 3.032 -5.005 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 4.578 6.118 8.006 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 -3.855 -0.741 6.175 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 -2.743 0.755 25.692 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 0.866 -15.055 2.905 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 -1.603 -9.852 -1.689 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 4.109 -10.831 -0.073 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 16.624 -14.619 3.915 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 -2.686 -2.647 2.866 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 -20.969 -1.789 -28.342 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 7.239 22.960 6.459 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 5.329 -2.886 -5.400 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 -4.152 1.057 4.109 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 4.966 4.331 11.794 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 -6.568 -5.205 -1.953 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 -2.562 -10.862 -14.814 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 4.857 0.488 5.869 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 0.537 -7.146 -6.292 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 6.435 -5.427 -6.131 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 -12.703 -7.406 -11.032 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 -2.477 -0.696 -9.635 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 -2.649 -9.850 -7.756 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 27.679 -20.218 -10.307 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 -2.423 4.850 -2.071 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 19.057 9.925 -11.889 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 4.581 7.513 -0.389 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 -3.893 -1.842 0.111 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 8.740 -8.953 -7.261 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 -9.055 -5.548 9.906 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 3.833 8.707 -3.380 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 3.158 8.103 -3.844 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 18.068 3.277 15.519 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 -0.384 1.389 1.056 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 -5.990 8.156 -13.133 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 12.802 8.672 4.587 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 -0.956 -0.480 2.489 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 16.941 3.478 -1.779 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 2.751 -15.386 9.424 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 2.256 -0.748 -1.315 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 9.510 3.848 -6.047 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 21.468 18.533 -15.185 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 -6.080 3.599 6.082 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 -2.443 14.390 -0.521 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 -4.427 -10.802 5.296 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 -5.036 0.843 5.759 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 12.526 -5.199 -11.069 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 -4.248 20.086 -19.686 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 -0.628 -4.713 0.581 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 19.099 6.144 17.469 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 10.844 8.175 -9.552 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 -0.807 2.168 -5.248 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 -9.353 -19.153 -19.091 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 -23.984 11.462 -5.698 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 -0.966 5.133 10.604 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 2.460 1.581 11.996 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 19.904 10.216 7.190 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 3.298 2.837 -3.111 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 14.359 -1.669 -7.843 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 5.113 3.325 -12.682 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 1.921 -2.803 -1.875 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 -1.916 -12.392 -15.141 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 6.336 -4.053 -0.990 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 -3.487 -2.604 -6.732 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 6.927 3.408 10.491 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 -10.238 -2.819 -2.234 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 -2.681 -5.563 0.036 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 -1.707 -7.822 0.399 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 -2.332 -3.749 0.244 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 -0.453 4.734 1.368 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 -13.598 18.577 -21.803 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 12.173 -18.990 0.124 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 -3.595 0.909 -8.914 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 -7.946 4.441 -2.689 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 4.486 6.380 -7.666 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 -2.331 -5.562 6.669 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 12.069 -11.898 -1.136 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 -3.577 -9.380 22.403 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 3.167 -1.548 1.229 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 0.882 -5.111 -10.705 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 2.264 -3.919 -4.182 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 -2.042 3.522 -5.534 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 -2.056 -10.439 4.363 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 0.117 8.787 0.487 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 -0.048 -1.169 2.546 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 -16.357 3.063 16.620 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 13.718 -0.103 -20.342 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 -1.965 -0.831 5.819 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 -0.772 15.724 36.942 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 0.807 -19.389 7.583 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 2.233 1.423 1.331 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 -6.053 -12.863 8.859 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 0.583 -6.652 0.859 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 2.134 -1.033 -3.766 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 -11.892 -5.991 11.631 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 13.676 7.052 -2.574 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 0.488 -3.972 -2.135 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 -0.259 -7.293 -7.472 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 -5.147 -2.796 -12.531 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 -0.116 -2.224 2.940 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 -1.921 -7.095 -5.015 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 -11.172 3.016 3.664 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 -6.626 4.149 1.061 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 -5.822 -7.092 0.200 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 7.777 14.063 4.116 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 -1.852 -6.635 5.361 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 -2.427 1.160 -5.537 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 5.862 -12.225 25.469 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 1.296 1.307 -3.234 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 11.011 -13.069 -1.933 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 0.570 -24.725 30.709 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 8.552 -3.653 -4.562 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 -2.888 -1.635 -6.040 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 7.275 -2.529 -13.524 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 7.421 -0.680 2.832 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 16.545 1.751 -10.551 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 18.995 -2.094 15.064 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 0.191 -1.793 0.564 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 0.735 -3.349 -3.515 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 -6.505 0.153 14.127 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 2.032 7.471 -1.710 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 -19.070 -6.398 8.502 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 9.006 1.606 -18.571 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 3.884 -2.457 7.162 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 8.280 -7.904 -3.111 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 -14.721 -7.174 4.112 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 -1.080 3.754 5.131 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 15.918 24.314 9.133 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 -13.051 7.779 10.892 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 0.391 5.754 1.639 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 -5.115 10.278 19.060 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 12.124 21.173 -3.783 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 0.954 0.133 0.514 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 -2.100 16.006 0.328 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 21.894 -9.810 -12.292 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 5.814 2.977 2.250 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 -12.561 1.774 -1.089 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 -17.189 6.863 1.283 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 -3.108 -1.575 0.443 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 11.260 -15.585 11.227 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 8.726 17.043 3.900 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 3.294 -3.444 -2.308 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 11.180 -4.973 -9.061 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 8.217 -15.082 3.836 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 1.250 -2.643 0.971 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 12.768 -3.220 -1.857 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 2.386 -13.556 -4.864 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 -0.458 1.818 6.520 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 -1.099 -0.357 9.438 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 -10.994 -20.818 -11.492 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 -2.587 -6.805 -3.765 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 -0.101 -8.683 -4.663 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 -9.392 14.036 30.508 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 -1.982 4.657 -0.541 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 21.330 5.929 4.529 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 -24.479 1.436 7.134 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 -0.542 -3.613 1.132 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 -4.725 -11.329 -1.520 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 8.065 -4.249 -2.900 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 -9.541 -0.884 -4.226 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 -8.026 1.638 -3.770 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 -3.087 1.513 -11.095 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 -0.408 5.650 3.124 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 4.009 -16.241 -11.848 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 -1.749 16.344 2.726 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 5.277 0.277 -4.500 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 -10.690 3.584 -3.957 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 10.691 14.951 1.749 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 -3.034 4.254 1.065 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 -17.946 -25.349 -8.410 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 -16.318 -16.380 -8.330 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 3.043 4.885 2.517 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 8.511 -2.638 5.770 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 -2.050 6.172 2.137 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 1.912 -2.648 -3.138 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 3.290 -15.211 9.352 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 6.886 4.312 -6.211 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 3.713 2.057 -0.426 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 7.188 3.447 2.147 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 11.142 18.960 1.432 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 -3.964 -1.680 -6.416 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 -3.391 -3.767 -9.896 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 -1.130 -2.479 -10.641 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 -1.115 -0.539 -5.280 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 1.950 11.046 -6.887 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 3.592 7.229 -14.498 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 1.913 -1.143 -3.368 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 -7.071 22.465 -8.386 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 -29.116 -16.276 -0.746 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 -7.069 1.191 1.078 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 2.032 3.425 -7.402 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 43.410 22.446 -0.225 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 0.042 1.465 3.115 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 4.464 17.496 -3.530 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 -5.266 -13.392 8.785 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 -1.534 -0.484 -0.623 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 23.860 10.466 -10.220 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 -17.502 16.045 -21.961 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 -2.538 -0.975 -1.133 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 -3.965 1.753 -1.228 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 -3.361 5.917 1.161 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 2.699 0.761 -1.803 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 6.450 -0.873 -0.725 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 2.070 -3.949 -1.219 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 -1.711 0.163 -2.033 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 1.734 6.262 -0.010 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 4.352 3.979 -24.772 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 -1.410 -4.844 -1.373 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 5.143 -24.692 -4.635 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 8.432 -14.414 0.346 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 6.333 -4.187 -3.239 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 7.433 -26.813 7.535 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 -4.251 15.108 15.669 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 3.685 -9.139 -3.448 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 6.582 -10.270 -6.070 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 -7.675 -8.047 4.486 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 6.905 -1.620 3.144 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 1.372 -7.133 9.314 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 7.825 8.044 1.620 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 2.279 4.879 -2.683 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 -0.756 -14.332 -15.457 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 6.773 -3.212 -11.258 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 1.713 -4.054 -0.547 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 -12.461 -11.857 24.066 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 -2.921 16.510 -12.442 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 -3.415 -7.748 0.988 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 18.792 -17.793 37.307 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 3.234 -8.180 -13.040 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 -4.493 3.166 1.683 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 -14.446 17.978 7.595 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 -9.224 7.741 5.172 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 -1.032 2.430 0.309 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 20.556 11.481 -6.093 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 -9.831 12.835 6.337 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 3.490 -0.781 1.904 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 7.414 -4.849 10.498 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 14.377 -4.658 -9.337 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 -5.021 0.950 3.897 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 -10.105 -12.236 -3.904 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 0.326 3.393 -11.737 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 7.279 -4.027 -2.503 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 2.898 14.301 -34.313 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 0.943 -15.438 -15.089 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 0.584 -3.670 -8.849 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 -22.765 -4.527 -6.181 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 -13.910 -2.440 -6.394 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 -4.943 -4.019 0.292 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 -15.626 14.350 3.915 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 -5.010 -7.187 -4.552 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 5.541 -0.841 -0.557 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 8.339 3.907 -0.808 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 6.347 9.991 -12.800 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 -1.970 1.133 -3.646 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 -2.277 1.118 -2.591 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 -1.107 1.253 -4.883 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 -1.964 1.369 -2.602 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 2.018 -0.391 -3.711 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 -2.049 -0.144 -3.784 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 1.612 -2.864 2.240 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 -10.430 -10.531 0.702 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 13.898 2.520 5.968 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 5.850 0.965 -3.782 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 3.767 -7.213 11.630 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 7.624 21.511 -5.161 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 9.333 0.692 -2.090 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 -0.335 8.439 -20.726 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 5.244 13.752 12.355 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 -1.542 -3.129 2.111 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 -5.027 0.680 -10.327 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 -17.291 12.748 10.113 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 -6.065 -1.073 -2.839 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 -4.017 26.387 11.055 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 -10.967 -32.407 -2.702 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 -7.070 5.271 -5.641 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 1.958 -3.056 -5.856 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 4.871 10.965 6.977 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 -5.174 1.420 -2.203 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 -6.165 -6.233 -24.506 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 0.433 19.510 23.191 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 3.989 -0.638 2.729 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 13.433 -15.951 -2.385 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 -28.746 -1.969 -11.104 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 0.252 -6.897 0.628 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 -14.783 -0.012 3.793 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 2.424 -14.894 -3.031 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 -3.304 4.840 4.724 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 -5.543 17.960 13.851 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 7.402 22.341 -22.180 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 -1.925 1.742 0.326 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 -3.295 11.677 14.462 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 -3.182 4.865 -11.236 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 -4.083 -2.691 4.010 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 2.977 13.892 28.021 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 7.966 -10.546 11.657 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 1.312 1.916 -1.579 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 0.990 3.931 -1.721 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 -1.920 15.219 -2.157 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 -9.342 6.693 -5.807 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 8.047 -7.089 8.927 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 2.780 1.495 -9.796 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 -0.322 -4.437 1.972 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 -5.661 -3.490 0.190 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 0.787 -3.413 0.920 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 0.073 3.894 -1.245 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 7.529 16.635 15.319 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 0.329 0.895 -11.611 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 2.861 -2.007 -1.308 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 1.338 5.405 -6.491 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 10.184 -6.103 -4.038 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 0.436 -4.379 2.366 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 -2.444 -11.415 -5.200 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 -3.366 -9.591 10.497 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 6.281 -3.803 -0.885 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 4.414 1.105 -0.108 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 5.660 10.040 -3.359 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 -3.052 1.636 2.354 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 -11.193 -11.505 16.854 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 -7.220 3.942 -15.110 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 2.252 -2.840 2.387 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 16.237 0.030 -10.558 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 -11.327 -2.952 -5.461 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 -2.730 -4.568 -3.371 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 0.251 -15.677 16.876 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 -5.784 -9.847 23.209 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 -5.219 4.776 2.761 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 10.254 2.815 -5.190 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 2.909 6.182 2.831 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 -0.269 3.885 -6.534 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 23.253 20.690 -14.781 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 -0.389 4.592 -6.334 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 -3.841 -1.012 -3.942 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 -5.723 -1.467 -7.781 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 -4.247 -6.156 -19.501 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 -1.159 2.482 -8.298 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 31.953 -11.407 -8.727 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 17.761 -3.960 -4.740 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 6.543 -0.034 -0.823 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 -8.555 0.665 5.593 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 20.211 -7.579 -5.546 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 -3.598 5.722 1.101 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 -4.612 5.766 2.083 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 0.344 3.007 -3.618 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 -4.487 0.495 -3.987 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 18.717 15.468 7.390 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 -27.429 -8.791 -15.315 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 -1.934 2.902 -6.019 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 6.951 -33.111 4.271 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 -12.286 3.665 -14.258 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 0.441 0.058 -4.200 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 1.987 4.732 -4.163 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 -1.443 35.764 0.397 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 -0.537 8.871 -0.974 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 -11.881 1.992 -1.505 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 -2.784 20.020 8.454 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 0.632 4.406 -2.960 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 3.320 -3.149 4.661 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 2.669 -1.320 2.813 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 -1.186 0.935 0.906 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 19.741 -19.837 5.173 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 -15.985 -27.241 16.608 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 4.195 3.285 0.078 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 7.204 5.976 5.507 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 -15.141 28.161 -12.194 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 0.053 -5.392 -0.606 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 15.192 7.916 -8.220 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 -0.876 -17.511 -14.957 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 -4.618 0.424 0.631 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 11.910 -5.716 5.902 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 -17.045 13.013 13.197 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 -4.596 -6.717 1.040 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 5.977 -21.046 19.695 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 7.869 8.083 -3.513 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 -0.855 -8.066 -2.206 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 -2.529 -0.322 -5.377 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 -4.074 -20.374 1.791 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 1.267 1.862 3.017 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 -3.670 -8.888 19.592 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 -8.377 -1.272 -6.335 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 1.965 1.931 -1.911 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 -6.102 4.162 -7.723 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 -4.457 15.026 -7.529 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 3.830 2.228 -0.644 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 -22.578 23.096 -2.024 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 -8.987 12.164 -1.646 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 -4.111 -8.760 1.344 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 14.622 0.243 -15.667 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 -0.866 -13.976 -2.445 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 -1.572 -6.198 1.105 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 9.767 -2.649 -11.378 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 -16.775 -5.927 -7.608 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 -3.202 -2.592 -1.489 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 -4.335 -10.772 -9.964 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 3.721 10.970 7.247 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 0.232 -0.346 -7.280 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 -1.776 -13.672 -3.384 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 -2.338 30.637 -15.017 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 0.045 -1.896 -1.403 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 0.749 -3.170 3.083 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 -5.412 -4.151 5.231 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 -5.149 -0.181 -5.319 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 8.646 12.079 14.492 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 -4.320 6.531 9.918 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 6.311 -2.538 -2.838 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 6.726 -18.073 1.453 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 8.005 6.742 -9.687 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 2.465 -1.095 -3.264 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 6.752 -5.318 -2.490 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 31.630 -34.989 7.186 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 -4.728 -3.232 -7.675 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 -1.286 11.862 -2.899 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 17.144 18.139 3.037 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 1.110 -6.784 -3.652 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 2.352 13.194 -16.219 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 -16.109 -5.305 0.694 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 -0.720 -8.016 -6.047 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 6.411 -18.357 -0.977 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 -7.052 -18.806 -13.484 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 0.316 1.294 0.836 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 22.949 -18.127 -11.382 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 21.751 3.592 15.211 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 1.126 -5.769 4.205 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 0.497 8.008 -17.292 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 -13.469 13.425 -4.831 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 1.149 -6.151 -1.294 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 4.605 -14.041 -6.799 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 -21.016 -20.777 -0.744 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 -6.268 -3.003 -6.010 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 -7.070 -6.319 -10.451 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 17.880 -10.099 9.953 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 4.259 -2.456 0.705 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 14.178 11.888 4.970 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 4.987 -3.572 -0.053 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 1.416 -3.734 -2.336 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 -1.779 -21.901 10.018 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 35.459 -8.222 -6.306 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 -4.076 2.457 -1.545 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 8.705 13.245 -23.046 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 -7.740 1.494 -7.726 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 -2.846 1.019 -2.561 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 -4.666 -2.395 -4.490 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 -0.501 -0.946 0.870 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 5.863 2.952 -4.604 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 -4.456 17.134 -21.153 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 7.431 -7.892 15.402 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 1.602 -6.062 1.080 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 -2.335 -20.254 -18.588 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 -26.125 0.464 29.529 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 -2.077 -3.139 -0.822 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 3.065 -9.199 11.849 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 -4.331 -4.506 -5.570 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 -0.113 2.064 -1.134 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 24.089 0.850 -1.620 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 -18.857 -6.892 8.738 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 2.058 6.556 -5.508 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 -13.330 -10.155 -0.841 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 -1.878 14.243 -8.876 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 -0.186 -3.681 -9.219 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 19.497 14.214 -29.995 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 10.291 15.255 11.690 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 -1.415 -3.992 -0.525 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 -6.132 -15.794 10.236 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 -9.774 0.748 -18.742 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 0.134 -3.629 -0.125 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 -15.706 -8.305 -22.924 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 -14.939 -10.700 -22.269 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 0.951 -2.121 2.675 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 -4.973 9.253 -12.394 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 -16.145 -15.482 8.554 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 -2.457 0.547 -0.391 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 8.368 9.129 -1.687 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 -7.897 1.005 11.488 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 -7.731 -1.786 3.025 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 7.232 19.976 -18.402 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 -12.353 5.384 3.785 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 -2.370 -4.879 -4.603 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 -13.658 2.537 11.528 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 -18.948 -2.211 16.128 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 0.638 -6.321 -0.281 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 6.420 10.153 -6.039 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 -15.790 -4.358 -9.517 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 -1.396 6.781 -4.485 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 19.196 8.064 -12.142 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 8.788 5.867 -11.166 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 5.041 -0.890 -1.784 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 -0.812 -1.917 -22.561 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 1.928 -2.647 9.203 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 -2.991 2.912 -1.873 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 -9.150 2.878 0.028 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 19.677 6.129 -8.188 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 -9.718 -10.921 1.447 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 -8.803 -10.010 2.043 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 17.039 0.538 -5.475 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 3.036 10.533 1.166 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 2.033 2.406 -5.147 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 1.062 -7.078 0.796 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 -3.591 2.400 -0.215 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 -24.128 6.758 11.577 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 -3.848 -18.404 -17.589 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 4.982 -3.707 -4.942 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 11.196 -3.743 -7.481 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 3.110 8.675 -5.965 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 1.530 4.225 -1.307 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 0.843 -20.234 -7.187 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 3.751 -5.979 -15.914 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 -4.464 2.151 -0.993 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 11.529 2.541 -1.389 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 4.709 -19.697 -23.634 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 3.829 1.904 -5.413 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 -27.737 -33.171 -0.055 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 16.620 9.928 3.449 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 -3.431 9.128 1.738 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 -9.620 12.473 21.616 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 -7.126 -10.194 -5.060 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 -2.462 -3.215 1.434 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 -0.165 3.876 -30.851 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 -7.278 -12.890 41.120 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 -6.792 -1.400 -7.083 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 2.377 0.539 6.312 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 -11.648 -0.934 -9.291 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 -0.973 7.855 -10.510 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 1.911 8.848 0.385 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 -17.716 4.068 -16.369 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 2.330 1.541 -1.684 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 -9.007 2.867 -1.213 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 -9.578 3.355 -1.269 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 -1.414 -0.127 4.559 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 -11.711 8.019 2.843 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 -8.511 11.500 -1.179 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 -5.586 0.234 -5.257 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 -10.896 0.021 0.721 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 -0.143 3.988 3.509 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 4.402 3.243 -3.923 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 -3.279 9.155 14.299 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 18.714 1.575 11.326 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 2.216 -1.242 -3.304 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 -7.848 8.669 5.150 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 14.136 -30.171 2.206 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 -0.301 5.784 0.407 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 -3.470 11.557 0.472 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 10.970 11.026 8.146 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 0.027 -0.651 1.084 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 -5.425 -6.759 0.200 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 0.839 -6.144 -1.832 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 -2.152 -1.776 0.488 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 22.477 -19.314 25.289 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 -11.412 2.005 -8.345 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 -12.867 -4.101 7.644 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 8.902 36.238 3.180 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 -27.008 9.499 1.590 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 -0.395 -3.677 -2.034 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 13.877 4.084 -8.317 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 -11.027 4.047 -9.370 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 -6.927 -0.460 2.147 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 5.175 13.842 -13.739 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 1.121 6.594 -5.393 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 1.789 -5.802 2.306 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 -10.935 -12.975 13.326 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 -5.281 2.964 -16.660 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 -6.411 2.829 -2.221 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 -4.863 -9.748 14.595 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 -8.902 3.471 -9.763 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 2.158 -1.125 7.685 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 4.959 -0.374 11.817 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 2.983 -14.063 7.919 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 0.172 -0.957 4.132 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 4.752 5.679 28.461 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 -10.191 16.023 -13.453 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 2.811 0.817 8.062 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 16.558 7.709 6.047 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 -23.775 12.566 9.211 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 -3.803 -6.091 -4.221 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 -5.399 0.409 6.247 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 -8.760 -4.306 -6.146 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 1.315 -1.349 -1.114 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 3.027 8.690 4.202 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 -5.396 -2.467 -11.987 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 -1.283 2.538 4.972 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 23.837 -7.436 9.975 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 -0.927 -7.129 -10.325 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 -6.988 5.912 5.053 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 13.362 39.295 -11.402 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 5.153 16.044 19.033 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 0.708 -1.291 -0.859 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 1.854 6.890 -11.026 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 3.777 -14.630 8.926 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 -6.036 -0.470 -1.844 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 -11.975 -19.872 29.396 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 -6.465 -15.035 -19.128 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 -2.802 -2.758 -3.069 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 5.731 8.291 -16.747 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 12.911 -11.027 4.905 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 -2.710 1.188 4.664 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 -6.273 12.111 -4.836 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 -21.018 3.537 11.301 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 8.226 -4.009 0.286 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 -14.449 -8.478 0.955 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 -22.784 -10.362 25.782 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 -3.041 -4.433 -0.188 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 9.753 4.387 6.444 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 -3.271 3.382 8.241 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 -3.929 -3.008 1.373 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 -34.626 24.519 -17.659 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 33.787 12.104 20.880 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 6.428 -4.674 7.728 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 -10.345 4.708 6.899 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 -12.455 27.321 2.004 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 -0.189 -1.611 1.104 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 -3.787 -3.375 -1.238 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 -17.198 -6.407 -4.407 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 -5.596 2.132 -4.156 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 -32.696 24.421 -11.465 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 1.473 -20.956 5.072 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 0.271 1.879 -7.821 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 -7.871 -11.140 -9.149 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 4.801 11.048 -4.102 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 2.867 1.958 -2.071 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 3.102 -5.643 -6.031 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 1.078 -0.786 -3.107 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 -4.260 -1.083 3.160 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 6.706 -3.354 -11.807 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 12.297 -11.720 6.621 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 -4.376 3.211 -3.748 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 -0.339 -6.744 -3.988 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 7.100 8.343 15.059 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 5.386 2.788 -5.453 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 16.454 -0.989 11.537 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 -6.088 23.084 7.894 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 5.800 1.008 -0.072 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 6.397 1.164 -0.262 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 0.996 -3.452 6.391 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 3.040 -2.262 0.362 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 3.599 -19.111 22.991 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 15.268 14.474 -1.127 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 -0.374 -3.284 -4.553 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 26.505 -14.924 -23.663 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 -0.368 7.830 32.533 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 1.769 6.194 3.020 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 12.310 7.273 5.556 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 8.982 22.315 38.189 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 -0.465 -0.442 -2.893 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 9.780 -1.909 -17.718 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 -18.493 -1.865 -3.887 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 -5.590 -2.344 -0.641 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 17.973 -8.750 -11.149 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 -16.380 6.090 10.195 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 -9.275 -0.088 2.480 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 -11.626 -19.677 -7.949 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 -3.933 5.433 3.639 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 3.230 -2.309 -3.075 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 11.271 -2.721 -3.609 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 -5.271 -3.555 10.349 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 -1.241 -2.111 -7.038 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 -3.434 2.038 6.067 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 -1.623 -4.987 6.647 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 -2.660 -8.660 3.874 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 -0.786 -9.288 -2.921 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 -0.080 -9.852 -4.305 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 1.066 -1.561 1.110 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 28.930 22.842 13.796 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 12.261 -2.373 5.208 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 -2.822 8.784 -2.646 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 -4.020 -3.054 -5.411 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 4.238 7.810 -6.809 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 5.603 -1.155 3.916 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 9.051 -1.026 7.910 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 12.374 -12.547 12.425 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 3.760 -1.068 -0.229 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 13.801 -3.601 -1.326 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 3.548 7.298 -8.224 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 -2.904 -0.762 -1.100 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 -0.948 38.521 -3.757 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 28.791 -5.101 5.296 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 3.055 11.902 -10.405 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 5.871 7.173 33.506 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 -21.151 -13.252 26.075 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 -3.445 1.623 -0.521 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 -5.496 -8.731 -1.365 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 7.961 2.077 -1.156 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 8.390 4.139 5.745 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 -10.605 8.232 6.072 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 -13.592 2.494 2.825 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 -0.321 -6.422 9.578 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 -9.577 18.529 -3.502 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 19.372 -10.730 7.455 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 1.939 -2.686 -5.497 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 24.057 -13.435 -16.903 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 -11.487 -2.041 -28.315 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 -1.456 -7.612 0.250 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 -3.446 9.111 7.695 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 -2.151 -4.904 -4.563 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 0.767 5.108 -2.431 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 -6.187 1.997 -2.831 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 5.525 -13.481 15.231 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 -2.137 2.704 -3.487 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 -0.378 -0.957 -5.072 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 6.491 -24.284 -4.062 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 -1.368 0.300 -3.538 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 -8.134 16.963 3.582 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 2.876 -12.936 -0.725 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 -5.924 -0.773 -8.553 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 6.137 -2.541 -12.399 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 -15.464 -5.323 -18.833 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 -7.435 -0.229 -1.651 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 -19.009 -3.403 -7.553 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 -4.799 2.309 7.739 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 -2.622 -3.938 -1.898 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 -3.784 -9.089 -1.591 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 -3.485 -7.921 -1.586 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 -0.050 -0.990 6.433 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 12.072 -9.888 11.019 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 -0.130 8.929 14.914 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 -5.649 1.905 -7.852 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 5.193 -6.450 28.227 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 16.337 5.781 41.890 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 -3.042 4.414 3.517 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 7.022 0.098 19.046 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 19.014 4.474 13.479 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 6.510 -4.025 2.220 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 -49.479 0.988 -8.105 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 24.054 -5.390 5.201 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 0.434 -0.402 -7.313 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 4.904 -5.964 -28.316 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 -1.200 -4.022 -14.978 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 3.603 -4.315 -0.022 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 10.640 3.113 -9.624 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 38.034 -8.350 -3.670 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 3.412 1.016 -3.667 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 -0.256 8.594 -2.251 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 4.275 -4.811 -4.015 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 3.371 0.578 -3.862 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 7.800 30.010 -2.518 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 -2.112 -29.179 0.430 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 -3.394 1.295 -3.346 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 -14.758 12.792 -3.845 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 13.112 -1.783 14.383 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 -4.414 0.812 -1.485 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 -0.391 17.509 -1.219 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 12.883 0.968 6.111 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 1.044 -0.052 4.549 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 -3.476 -1.772 3.654 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 14.079 4.954 23.609 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 -4.408 -3.428 0.991 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 -6.991 -1.132 -1.253 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 -6.578 -4.349 -1.849 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 -0.428 -4.816 -1.576 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 3.122 6.556 -4.006 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 -9.114 2.937 11.025 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 -3.455 -0.779 1.754 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 -1.329 -4.917 32.950 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 -20.299 2.967 -1.987 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 2.929 -4.482 0.528 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 -2.816 -7.775 -7.402 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 11.718 3.286 20.006 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 -0.447 -3.161 5.401 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 -0.877 1.459 6.910 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 -9.195 6.883 -0.810 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 -0.833 -3.867 -2.000 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 2.273 7.005 -0.109 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 -17.056 11.972 -11.428 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 3.744 2.387 0.031 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 23.805 -3.570 17.608 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 -15.436 -14.640 4.917 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 8.661 -4.779 2.264 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 -12.002 -9.444 7.042 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 7.549 -3.972 0.953 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 -1.154 9.553 4.020 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 9.067 7.968 -17.411 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 8.155 -11.558 15.544 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 2.537 2.417 -1.344 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 9.418 -9.588 -7.464 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 -7.675 18.426 6.750 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 -5.279 -2.468 -3.055 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 -14.920 6.776 -8.682 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 10.190 -14.902 10.625 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 2.163 3.305 -5.399 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 1.742 -7.402 -6.292 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 1.940 -8.142 -5.651 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 3.955 0.703 1.500 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 8.691 12.456 0.263 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 6.147 4.588 1.147 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 -1.871 1.942 -8.571 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 -7.153 27.262 21.898 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 -10.167 -5.488 -8.927 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 -4.084 0.942 1.644 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 -9.212 9.519 0.422 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 -32.851 -8.326 -9.913 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 2.859 -2.673 -3.937 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 5.177 7.323 -7.967 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 -9.710 -2.994 6.210 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 2.069 -2.224 -1.610 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 10.049 11.943 11.847 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 -17.443 12.546 11.111 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 -0.144 -1.028 -3.863 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 11.241 4.770 -15.908 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 -8.945 -3.430 0.719 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 0.246 -6.985 -8.725 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 5.764 9.733 20.526 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 -1.682 2.088 30.040 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 4.220 -5.557 -7.044 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 13.463 -4.225 -3.243 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 3.926 0.791 -10.355 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 0.197 2.669 -2.222 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 17.281 -13.655 17.396 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 -6.137 18.094 -17.899 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 5.728 0.274 -0.908 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 11.095 -11.658 -9.130 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 0.581 -5.994 8.519 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 -5.498 0.052 1.761 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 -2.429 -5.158 4.414 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 5.985 -17.585 10.972 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 -0.145 1.557 -9.203 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 4.910 -5.131 -2.074 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 0.528 0.348 -5.146 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 1.991 2.521 -2.786 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 0.924 18.398 -8.194 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 -3.220 -7.275 11.863 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 0.579 -0.117 1.127 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 48.979 -7.043 -10.878 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 -8.687 36.478 -11.891 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 -0.882 -3.325 15.030 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 -10.323 -18.375 8.710 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 4.440 -2.388 -8.418 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 -0.630 -4.065 4.559 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 7.382 9.127 11.742 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 -0.257 -18.492 20.266 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 4.254 0.127 -7.251 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 0.845 3.777 1.120 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 27.528 2.544 -4.960 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 -0.760 -0.670 -7.715 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 -5.830 -10.032 -11.666 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 13.741 10.474 3.016 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 3.084 -8.816 -0.476 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 8.336 -12.680 -5.922 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 13.126 -25.469 -9.676 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 3.281 1.654 -6.816 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 8.232 3.646 -28.212 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 9.713 -28.573 -4.883 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 -3.332 5.210 -0.825 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 12.825 11.914 32.753 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 -17.293 -2.514 -11.126 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 -1.651 -3.112 -4.193 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 -2.316 0.544 -0.217 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 5.627 1.164 -3.042 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 6.947 2.557 -6.694 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 9.497 -19.671 -20.739 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 3.555 23.566 -24.176 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 -5.251 2.503 3.979 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 -4.590 22.782 18.056 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 -4.561 1.562 1.648 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 -3.534 -1.072 -0.906 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 3.586 9.795 4.247 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 -5.109 -10.793 2.838 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 2.440 -2.075 -2.955 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 -22.835 8.821 -6.723 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 19.228 10.302 15.269 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 2.361 3.612 2.173 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 19.816 5.178 -12.328 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 8.175 1.114 4.688 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 -4.251 7.327 2.032 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 13.265 5.482 -0.128 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 39.019 4.053 -1.369 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 -5.499 -0.493 1.286 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 -6.591 18.986 2.526 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 2.348 -10.491 -11.302 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 -0.563 -2.271 -1.939 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 17.873 -28.556 16.996 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 20.310 15.551 -0.320 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 6.647 -4.349 -2.557 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 -14.689 -13.428 -12.457 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 -14.686 -9.694 16.593 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 -0.222 -0.646 -1.766 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 -5.187 -13.294 0.863 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 6.773 7.900 3.907 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 -0.134 -6.119 -4.049 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 17.481 20.038 -2.166 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 -6.717 -8.330 3.256 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 -1.621 0.585 -0.813 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 5.686 2.410 0.994 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 18.393 -9.287 4.490 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 -4.237 3.515 -0.207 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 -11.889 7.239 5.817 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 -20.205 11.415 11.994 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 4.757 -3.116 7.873 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 2.464 7.547 4.243 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 8.587 -9.433 0.451 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 -2.949 -1.301 -6.905 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 12.035 -16.357 -25.280 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 -20.508 14.347 12.132 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 -3.547 -1.275 11.157 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 4.605 -28.901 44.868 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 1.795 -4.378 11.923 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 6.152 2.180 1.302 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 -31.606 19.306 10.816 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 -8.064 6.046 -13.805 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 0.320 -0.443 4.139 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 -25.775 14.971 -2.866 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 -19.965 -3.881 -19.710 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 -3.294 -5.748 -3.271 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 16.617 -42.252 -15.389 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 -10.279 2.516 0.023 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 -3.488 -6.705 5.497 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 -3.625 -16.603 -10.619 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 1.324 -9.469 13.849 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 2.351 -0.065 10.144 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 -1.855 -4.194 12.000 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 8.476 6.144 6.143 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 -0.510 -3.002 -2.667 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 -11.263 15.079 13.381 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 7.679 17.300 -24.708 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 1.107 3.587 -3.889 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 -0.915 -5.091 -4.818 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 9.633 12.099 -2.195 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 0.539 -5.249 3.083 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 -8.887 1.786 -2.345 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 -9.180 29.879 -10.064 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 0.757 -3.431 -5.206 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 25.273 8.144 26.463 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 -21.504 -46.645 13.751 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 4.710 9.393 2.096 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 15.124 6.395 5.556 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 11.001 21.058 1.980 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 14.546 -0.518 2.176 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 14.611 -18.055 15.940 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 5.434 17.736 -6.285 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 -0.107 11.424 6.699 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 -9.854 0.296 -0.241 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 7.796 18.784 -5.906 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 3.139 -0.165 -0.388 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 -25.501 -11.407 44.334 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 33.139 -1.382 -1.039 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 -3.323 2.767 0.216 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 -7.523 -6.771 -7.808 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 5.102 -5.592 1.050 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 2.389 -0.202 2.483 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 -4.346 -12.467 -27.653 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 -3.764 39.552 -5.996 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 0.998 -0.740 -3.098 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 14.061 -3.029 -0.784 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 14.904 -2.539 -0.910 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 -2.619 1.111 -0.432 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 8.615 16.700 13.677 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 1.472 4.062 4.302 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 -7.064 -4.250 -5.857 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 -0.506 12.768 -0.130 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 -6.875 -3.074 -15.919 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 -4.765 -2.200 3.158 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 2.978 -4.120 -4.747 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 -7.182 -11.017 6.098 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 1.518 2.275 -3.860 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 0.243 3.353 -6.282 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 1.264 9.623 -19.222 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 5.109 1.426 8.117 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 -0.382 5.802 5.373 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 3.359 2.691 7.623 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 2.600 3.089 4.200 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 -1.838 4.422 -0.105 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 -6.159 23.181 -7.054 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 5.474 -1.152 -4.591 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 -10.700 28.924 -14.399 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 2.770 -3.301 -4.490 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 4.856 0.070 -1.599 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 1.380 9.607 2.787 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 -4.030 -4.902 -8.356 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 -4.672 -4.307 -0.664 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 -6.456 -16.908 2.138 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 -9.361 3.125 4.195 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 4.343 8.756 -3.744 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 -7.540 8.408 -7.239 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 5.842 1.240 1.234 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 -4.690 3.382 -6.356 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 2.581 -7.495 -1.397 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 14.174 -19.957 -12.467 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 -0.168 -0.067 1.873 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 -10.014 0.121 -0.818 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 -0.319 4.165 6.077 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 -5.693 6.207 8.284 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 -0.276 6.270 -1.047 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 -8.926 15.769 9.710 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 1.228 5.598 -7.996 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 22.520 -7.422 3.241 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 -26.921 -28.430 -0.187 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 5.664 -1.001 1.534 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 16.903 14.550 -11.511 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 8.898 11.271 12.475 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 -0.866 -5.901 1.501 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 2.586 -13.501 -0.553 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 -7.814 -8.515 -34.524 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 -2.723 -3.666 -1.297 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 1.336 19.399 27.935 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 4.307 4.832 -20.918 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 -6.297 3.162 0.968 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 7.904 4.484 -7.218 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 6.717 -16.330 -31.416 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 -3.910 -0.544 2.763 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 -0.305 10.568 16.659 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 -7.441 -14.161 -11.877 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 1.051 0.123 -2.537 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 -0.189 0.504 -4.209 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 0.695 2.866 -7.611 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 0.934 5.538 -1.846 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 5.258 8.078 7.905 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 19.509 -15.160 -3.826 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 -3.855 9.823 11.600 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 -4.087 -10.257 5.239 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 6.318 11.260 23.828 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 -0.891 -6.875 0.236 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 -1.458 -13.217 2.984 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 -2.333 -4.034 4.800 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 -0.775 8.859 -0.412 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 7.137 10.191 -13.784 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 2.542 22.652 -14.736 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 -0.045 -0.594 -0.697 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 0.077 -3.935 0.607 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 4.186 5.986 -4.042 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 -0.738 -0.198 -1.370 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 -7.854 9.034 11.561 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 -2.923 -18.654 -6.345 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 2.290 1.933 0.470 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 23.435 32.604 -9.006 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 7.559 -8.348 -4.957 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 -4.415 1.737 -3.650 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 -2.076 -10.563 -2.485 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 -4.909 -11.304 -2.642 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 2.710 1.311 0.622 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 25.215 -6.727 -23.479 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 13.279 -2.290 -5.872 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 0.364 1.144 3.524 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 25.996 -11.265 -0.586 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 -12.663 4.687 3.325 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 7.178 -1.430 -4.904 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 -24.402 6.296 -32.261 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 -6.264 -13.812 0.057 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 -9.896 -7.010 3.276 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 -6.764 8.277 21.611 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 -7.438 -12.903 -2.270 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 -0.380 0.624 7.194 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 -2.113 14.347 1.579 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 -12.453 2.846 29.676 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 -0.697 -2.960 3.620 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 -13.413 18.827 -14.727 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 -15.914 -19.756 -12.725 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 -3.669 2.916 -5.580 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 -11.316 5.929 -1.922 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 -0.559 0.561 8.950 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 -4.289 -1.176 7.487 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 -6.106 -14.837 -3.941 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 5.151 -5.888 0.660 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 -3.955 -0.372 3.977 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 -20.523 -5.907 10.784 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 -33.002 -6.304 18.412 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 1.780 -0.621 -6.670 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 7.568 -3.836 -2.206 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 -7.275 4.797 -13.856 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 5.093 -3.806 -1.751 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 -1.981 2.399 -9.176 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 -1.919 -4.095 10.163 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 7.594 6.828 3.272 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 -2.080 -1.979 -28.591 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 11.074 14.545 27.121 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 -2.994 -5.231 1.882 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 -0.223 -6.807 1.809 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 -29.036 5.013 2.004 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 -3.850 -3.747 -0.649 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 4.244 6.731 3.715 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 -3.790 0.119 11.183 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 -0.398 3.794 6.432 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 2.057 -7.650 21.546 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 8.098 5.158 12.313 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 -2.652 -7.151 5.779 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 -4.161 4.638 6.683 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 2.134 -9.804 15.850 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 2.001 4.222 5.050 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 -12.288 -12.132 -17.792 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 -2.912 19.236 22.051 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 2.573 -3.312 -4.253 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 0.917 4.457 -0.165 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 -3.044 -6.813 -5.442 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 6.575 2.693 -4.955 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 1.294 -12.846 -10.989 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 7.028 0.784 12.372 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 -4.521 2.888 2.308 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 -1.299 -1.636 12.156 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 6.635 -14.478 10.057 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 5.169 0.331 6.297 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 -5.235 -20.950 1.001 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 8.018 26.277 -15.559 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 -1.077 0.548 -4.527 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 -11.571 -9.006 35.650 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 -13.959 11.903 -6.322 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 2.727 0.387 2.897 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 3.005 -7.535 -9.232 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 -11.625 5.641 7.480 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 -11.639 7.737 -4.087 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 -14.775 2.376 39.755 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 -10.442 11.066 -9.179 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 2.761 -5.398 6.589 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 13.599 25.842 -3.734 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 3.764 6.540 -1.545 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 -4.687 3.825 1.819 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 -1.764 -12.506 5.044 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 -33.522 -5.800 -10.672 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 -2.217 5.624 -2.541 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 -33.126 -19.106 -0.096 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 -15.002 -17.260 5.531 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 1.695 -2.694 3.213 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 0.763 0.401 18.911 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 7.687 14.914 3.178 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 5.454 -1.413 6.479 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 6.534 1.945 11.977 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 1.800 19.571 -14.349 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 -2.340 4.750 -4.385 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 -22.153 20.861 1.729 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 -13.341 5.820 -7.802 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 -1.436 6.957 2.998 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 -12.944 19.281 10.164 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 -7.131 -0.050 1.296 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 0.057 0.398 6.862 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 4.513 5.105 12.217 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 -2.067 -6.667 3.409 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 3.654 7.916 1.861 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 3.473 13.920 4.139 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 -7.656 10.699 -1.031 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 1.818 -2.500 2.038 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 0.035 -0.149 4.060 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 2.235 -8.835 1.883 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 2.843 0.225 4.301 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 -22.844 10.782 -9.025 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 -15.157 9.326 -2.214 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 5.231 -4.885 -1.636 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 2.442 11.750 -11.970 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 10.057 26.137 -19.035 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 -1.781 -0.765 -2.790 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 15.533 -17.649 0.419 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 -2.906 -1.057 -2.631 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 3.491 -0.896 -2.383 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 7.289 10.646 -12.876 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 20.486 -6.879 25.598 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 3.501 5.784 4.799 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 16.413 11.943 -9.206 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 3.766 5.252 0.691 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 -3.498 1.643 -12.087 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 2.796 7.159 -9.485 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 -3.191 5.893 -11.287 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 -0.143 2.871 2.162 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 -2.362 10.633 1.745 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 3.272 1.895 0.369 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 2.516 -2.168 -1.296 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 -12.398 23.393 -9.054 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 -7.681 -0.618 5.239 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 2.730 -0.351 -0.444 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 -2.228 -1.881 2.965 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 -15.851 -8.740 11.962 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 4.995 -4.310 -1.894 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 -12.725 -12.822 -23.664 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 -2.703 -6.344 -9.527 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 3.251 8.315 -2.646 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 2.723 30.541 -4.541 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 18.138 23.578 -3.149 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 0.782 1.821 -2.460 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 8.776 -3.519 2.254 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 -6.806 2.675 -1.467 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 1.740 -3.052 3.962 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 -9.537 -7.359 -0.160 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 10.357 -2.457 -3.249 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 -0.425 4.002 3.335 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 13.614 -9.934 11.217 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 -18.537 0.003 15.511 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 3.566 4.353 3.974 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 2.552 -3.650 5.443 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 4.579 22.101 -0.083 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 -5.442 3.028 -2.409 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 3.612 -0.286 -1.977 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 -13.410 6.846 19.735 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 3.669 1.737 -2.099 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 -2.028 7.010 -4.369 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 8.359 4.281 -4.834 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 -11.058 -4.452 1.788 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 -7.737 -7.602 20.561 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 -13.118 -20.017 8.499 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 1.760 -3.565 1.097 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 -7.137 -25.838 -0.745 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 15.168 -2.533 -19.669 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 -0.742 0.553 4.525 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 -0.703 -19.211 1.785 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 16.801 4.608 -5.103 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 0.609 0.611 0.855 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 21.257 -0.777 4.294 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 -26.756 9.471 -11.111 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 0.179 4.477 -1.927 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 -6.095 1.025 3.047 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 12.524 9.185 -11.622 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 -2.334 5.569 -2.795 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 -33.707 12.364 3.574 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 8.827 2.566 -22.704 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 -0.760 1.227 2.246 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 7.449 -18.314 22.022 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 -3.978 14.561 -17.313 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 0.688 -1.514 3.186 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 19.587 5.242 -2.327 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 -14.063 13.665 -0.494 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 0.217 3.738 4.455 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 -8.806 -7.854 6.770 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 -11.919 1.579 -22.449 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 0.952 -0.801 0.873 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 -3.076 1.883 -2.596 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 2.223 -0.817 11.429 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 -1.322 0.675 -4.702 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 7.426 -1.773 1.728 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 2.725 1.780 -15.521 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 -5.134 2.818 6.297 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 12.524 20.884 10.050 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 -8.106 -7.195 3.665 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 -0.879 -0.985 -0.210 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 -0.472 -4.978 0.366 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 -4.493 14.954 -4.012 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 1.793 -0.760 6.839 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 2.186 -0.486 6.508 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 11.131 -34.614 18.089 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 -1.026 -2.630 0.403 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 4.593 4.148 4.133 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 7.248 8.108 5.275 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 1.525 1.867 0.421 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 12.120 -7.843 1.872 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 -12.625 -6.360 5.355 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 7.894 0.214 0.951 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 2.377 -0.758 -1.467 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 -5.610 0.282 -4.314 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 5.786 -0.087 -0.971 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 -1.560 5.822 13.821 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 17.168 -11.394 7.781 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 1.083 -2.151 -2.485 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 -21.820 -5.090 4.033 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 8.901 18.226 9.703 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 0.117 -4.766 -1.418 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 -7.246 1.670 -3.793 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 3.234 -11.899 12.577 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 1.644 2.690 5.737 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 -16.289 5.372 -2.519 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 -3.042 -1.414 23.883 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 4.969 5.349 -0.522 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 -16.010 18.267 1.087 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 18.131 -6.850 5.060 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 1.306 -1.984 3.495 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 7.577 17.711 3.503 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 -18.778 8.101 9.147 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 7.349 1.098 1.575 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 26.213 -22.237 -16.562 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 5.204 22.200 -0.748 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 2.143 -5.503 6.068 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 -7.379 -9.571 11.607 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 7.203 -17.738 -1.924 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 -0.767 -5.712 -0.879 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 9.849 -3.021 -1.580 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 -1.478 -12.528 0.098 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 -3.869 2.835 4.339 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 -3.862 1.958 -3.276 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 -3.798 3.063 4.908 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 -0.791 -7.861 -2.359 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 0.932 -8.010 -0.555 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 -0.619 -13.707 1.229 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 -0.740 8.139 -0.981 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 21.312 3.909 21.116 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 -5.240 6.332 -5.920 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 1.361 -2.108 -4.060 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 2.540 0.443 -7.630 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 -9.420 6.788 -9.739 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 -3.844 3.192 1.684 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 -9.830 -11.182 -18.174 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 -3.976 5.251 7.010 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 6.961 -4.143 -0.558 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 25.600 -3.421 5.559 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 -4.574 13.398 -0.017 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 -0.562 -0.566 0.665 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 18.616 33.500 0.196 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 -3.619 -8.500 0.261 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 -3.050 -1.553 2.566 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 -19.361 -7.301 11.308 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 -13.427 -5.884 2.953 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 1.914 3.416 -0.454 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 2.948 15.679 2.113 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 2.352 10.626 -0.809 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 1.753 1.052 6.024 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 5.957 17.747 15.293 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 4.073 -9.969 16.421 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 -2.340 7.404 -2.245 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 2.983 17.991 10.292 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 -15.603 7.200 4.460 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 -1.233 4.460 2.055 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 -2.337 -0.413 20.462 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 16.567 13.849 0.052 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 -4.439 2.167 -7.497 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 -4.213 3.323 -7.727 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 -8.777 -1.656 -9.714 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 -3.437 -3.597 2.720 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 -0.117 15.061 8.856 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 -7.387 1.327 -2.086 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 -2.574 1.190 -1.749 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 1.530 2.081 2.557 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 -5.027 0.877 -5.603 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 -5.435 -3.344 4.743 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 -3.350 6.016 -19.853 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 10.740 19.749 5.950 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 2.637 -1.819 2.171 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 24.688 15.058 -19.491 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 -21.811 -1.568 -11.273 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 -3.497 0.912 -0.527 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 -6.044 21.126 2.675 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 11.354 -1.381 -15.244 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 -3.317 8.407 -5.779 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 -0.980 6.206 -9.580 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 -1.719 11.184 -4.011 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 5.234 8.141 4.783 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 -3.930 5.491 -0.781 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 0.115 11.949 6.914 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 4.030 0.395 6.157 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 -31.361 -9.272 15.749 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 7.812 -12.350 8.676 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 0.889 -6.882 1.767 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 -4.065 -5.048 -1.525 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 -4.724 -3.756 0.446 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 -2.527 -0.167 -6.717 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 18.425 -13.352 -10.772 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 -24.231 5.515 -9.206 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 1.844 -9.928 -3.622 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 -11.801 -13.339 -12.734 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 -12.912 -4.342 4.377 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 1.019 -4.508 9.595 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 14.767 5.594 16.088 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 11.081 -1.874 0.297 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 4.704 -1.013 2.183 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 -1.478 -5.808 3.818 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 10.696 8.632 -10.146 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 4.551 -2.101 3.873 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 4.865 5.697 -2.197 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 -10.086 0.011 -0.114 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 -8.248 0.837 -4.023 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 -7.333 -30.581 -4.349 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 -6.513 2.205 16.491 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 -4.086 0.912 0.262 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 -7.380 -26.597 36.296 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 14.214 -13.395 -2.189 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 -11.813 4.759 8.225 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 -6.682 3.554 11.170 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 -30.430 1.301 -2.435 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 -1.542 -0.087 4.992 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 -1.651 9.018 -4.256 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 2.838 -3.863 4.672 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 -1.048 -0.025 0.992 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 10.768 -5.525 -0.454 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 -20.765 8.925 2.840 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 4.023 -2.429 5.164 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 14.641 17.747 -8.214 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 24.242 -13.702 15.592 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 -2.716 -1.754 -0.187 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 -3.175 5.024 0.171 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 2.445 -3.209 3.858 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 -2.028 -6.543 -3.249 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 -21.363 8.675 13.712 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 4.281 -11.693 -9.558 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 -1.600 -2.960 5.200 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 -1.918 11.665 4.525 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 -2.156 -15.408 12.341 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 -4.478 -1.792 -3.688 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 1.014 -4.164 0.740 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 -3.989 15.502 -10.408 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 10.221 -1.081 2.081 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 12.026 -5.133 5.221 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 4.860 -9.688 21.105 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 -1.178 -4.173 0.611 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 -8.866 -6.964 9.400 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 13.897 7.628 7.924 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 -1.631 1.663 0.360 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 0.417 2.198 -1.109 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 16.802 5.985 -18.742 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 -3.034 3.348 -3.221 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 -0.419 -0.143 11.836 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 0.117 1.672 -22.893 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 -4.197 -3.980 -3.433 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 -24.784 -4.420 -14.170 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 4.355 -0.954 -5.931 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 3.019 -7.435 -0.084 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 -3.351 -8.496 -16.482 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 -10.623 -3.177 8.042 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 2.187 -4.061 0.608 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 14.202 -17.004 -26.165 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 -8.983 1.647 24.365 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 -2.905 1.784 -2.141 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 -25.622 -8.292 8.523 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 -3.310 16.471 -7.228 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 4.617 -2.544 2.730 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 1.895 13.934 -6.217 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 19.994 -11.437 -9.628 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 -3.569 -6.779 -7.394 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 -3.697 6.416 -5.167 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 -2.628 -23.446 -10.212 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 1.574 -4.006 7.092 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 -2.370 -5.050 8.421 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 -2.238 -5.873 7.527 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 0.020 -3.372 5.441 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 -3.799 -12.386 17.140 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 -4.447 8.599 -22.025 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 -1.405 -0.088 -3.778 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 -0.075 11.036 -13.740 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 -8.871 -26.757 14.158 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 1.492 0.567 4.033 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 -1.317 1.312 -0.063 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 -20.553 5.363 -20.264 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 -6.195 3.958 -0.197 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 0.929 13.994 -2.601 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 -8.236 7.988 -11.852 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 6.560 -2.877 0.696 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 -8.183 6.812 -8.371 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 5.859 -8.114 9.406 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 -0.063 2.737 -3.179 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 -1.842 -16.143 -17.875 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 4.580 16.384 -21.129 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 -5.741 2.601 2.500 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 3.134 -14.827 18.865 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 20.960 17.611 -10.577 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 -2.155 -3.541 3.074 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 -18.707 16.355 11.073 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 1.648 1.373 -21.325 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 -6.130 -1.248 -1.874 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 1.567 -9.656 -13.276 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 7.552 -2.663 0.721 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 4.299 5.119 -2.217 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 -5.021 20.962 -17.844 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 2.889 10.127 -7.546 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 2.957 1.904 -1.785 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 11.521 0.326 -16.257 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 9.051 -7.178 -2.519 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 2.267 -1.552 2.713 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 -5.965 -0.058 20.035 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 -20.596 -34.401 -16.158 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 -8.248 0.912 -6.477 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 6.811 0.598 -26.950 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 -10.836 15.724 2.875 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 -4.775 -0.575 -2.235 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 4.018 1.290 -7.702 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 -12.456 -4.270 8.303 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 0.832 1.490 1.428 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 -16.473 24.308 2.402 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 -10.037 -21.859 1.120 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 2.339 1.021 3.509 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 -3.080 6.796 6.617 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 10.412 -7.277 -0.756 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 0.007 8.423 -1.169 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 -12.881 19.066 -20.610 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 -14.603 -15.675 5.245 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 -1.085 -1.584 1.460 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 2.937 -5.735 2.216 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 -2.334 -1.289 10.208 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 7.121 3.620 -3.329 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 -14.701 12.089 -5.249 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 21.347 16.700 -27.743 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 -11.110 -1.204 4.274 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 -8.248 1.237 11.962 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 -4.107 -3.627 -0.629 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 -4.770 4.454 -2.924 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 -1.573 0.382 1.141 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 5.166 13.558 9.480 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 -2.237 8.741 -2.489 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 -4.128 13.523 -8.588 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 -8.567 5.605 -14.241 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 -2.334 2.278 -0.198 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 -5.733 6.866 -1.090 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 -3.126 -0.287 -0.675 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 -2.596 -0.280 -8.175 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 7.780 4.326 -4.654 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 -5.576 -0.986 -17.411 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 -3.818 -5.518 3.978 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 -15.107 -27.990 -1.041 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 -3.565 -2.271 1.459 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 -0.849 2.513 3.105 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 -7.091 2.554 -16.205 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 7.840 4.127 21.622 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 -1.783 1.204 -3.039 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 -16.703 17.927 -15.456 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 -16.048 -15.544 2.180 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 1.932 -6.738 1.685 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 -7.751 5.752 -0.594 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 27.033 9.286 17.938 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 -0.473 4.996 -2.868 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 -2.464 0.792 7.241 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 -14.173 15.427 -11.262 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 5.195 -4.447 6.885 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 15.575 8.635 -5.894 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 1.708 -1.579 12.101 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 2.182 2.239 -6.373 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 -11.820 -6.221 -2.224 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 -2.971 10.824 5.247 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 -2.250 0.795 -0.555 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 -1.354 -11.852 1.801 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 3.466 4.403 -12.155 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 4.566 -2.456 4.710 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 2.519 -8.523 -25.151 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 22.283 -22.527 -8.046 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 -4.235 -4.517 1.055 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 -11.146 9.328 7.945 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 33.021 19.996 -11.245 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 2.462 -5.833 3.843 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 -5.824 -11.404 -8.136 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 -9.724 1.041 -14.926 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 2.700 -0.529 3.297 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 -7.451 -4.479 3.515 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 -12.774 28.822 -16.757 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 -1.754 1.603 -10.080 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 -3.250 -5.610 -2.933 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 -1.047 3.298 -10.048 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 -7.079 -5.146 4.856 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 -11.714 -13.279 -10.665 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 -15.420 7.447 -19.614 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 6.009 0.947 -2.365 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 -0.834 1.321 -12.881 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 15.645 8.487 23.007 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 5.485 -3.923 1.760 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 -1.454 14.604 3.683 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 -3.151 13.656 -6.195 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 2.986 3.040 -0.436 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 2.529 2.000 6.721 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 -21.866 6.122 2.078 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 6.040 1.874 -2.760 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 -21.307 -8.064 -1.596 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 6.319 -1.670 18.036 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 4.727 -1.387 2.109 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 2.312 -3.399 9.611 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 2.130 0.752 2.992 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 4.518 1.619 1.133 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 -14.319 -19.775 -11.567 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 19.394 -3.256 21.422 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 -3.101 -0.807 0.858 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 -16.521 10.035 9.191 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 0.095 -15.710 -14.113 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 -0.460 -3.540 1.466 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 -17.313 -3.398 -2.023 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 9.025 -6.220 -27.254 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 -8.632 -1.903 1.541 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 1.805 -3.926 24.994 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 -0.199 1.889 -15.532 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 -0.762 -5.455 1.038 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 -2.680 1.172 -1.021 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 1.576 0.421 1.686 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 1.725 -0.043 -0.039 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 6.440 2.705 -5.517 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 0.191 -7.462 0.148 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 5.517 2.497 4.206 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 15.387 -6.374 3.376 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 -19.116 -4.896 43.726 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 2.108 -3.067 -2.852 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 -16.190 -14.585 -6.067 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 -12.009 -19.066 -4.981 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 -2.958 -3.364 -4.475 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 19.839 3.559 -10.073 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 -2.010 -19.507 -17.709 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 2.308 -6.864 -1.683 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 -3.725 -2.800 -1.777 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 13.795 -6.210 -7.699 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 -0.294 5.037 3.318 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 22.767 0.871 14.086 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 -0.026 13.295 -0.078 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 -1.405 -8.316 0.268 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 -6.121 -11.838 -1.771 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 -15.991 -18.815 -2.893 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 1.824 -3.770 4.245 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 6.104 -11.260 -13.574 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 -1.168 10.086 2.893 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 5.666 2.650 -3.872 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 -20.774 -13.219 -13.875 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 -4.619 -3.902 -13.619 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 -0.313 2.896 -1.216 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 1.718 -7.656 -6.993 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 -2.376 4.118 0.184 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 1.875 3.422 -0.310 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 5.694 4.735 -0.606 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 -21.030 -3.635 9.519 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 -0.801 -3.893 1.705 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 -18.073 2.221 -25.709 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 -16.213 -1.055 -8.921 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 0.940 -2.227 -1.119 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 1.723 -1.077 -1.149 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 1.420 0.383 -1.930 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 -0.875 1.179 -4.940 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 4.592 8.186 -10.586 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 31.734 -2.121 -4.437 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 -8.949 -5.308 -1.225 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 33.249 -12.522 4.222 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 16.142 8.088 5.188 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 -6.421 4.768 6.061 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 -8.461 -0.572 7.044 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 6.571 26.315 3.881 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 2.431 1.928 0.125 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 6.926 -17.316 10.138 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 0.872 -3.176 2.818 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 -0.663 3.914 4.422 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 11.601 3.665 12.138 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 -8.551 -6.665 9.289 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 4.691 -2.495 -1.298 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 3.984 3.256 -7.341 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 -0.934 -8.655 -2.752 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 7.016 -0.311 3.935 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 -1.865 -0.903 3.938 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 23.884 0.067 15.247 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 -2.734 -1.459 -3.797 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 -3.352 -1.961 -12.597 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 -14.634 11.227 -6.315 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 -7.490 -5.846 -5.331 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 19.025 22.947 9.026 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 6.503 -2.638 20.672 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 -0.053 -1.415 6.366 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 -3.724 5.069 2.779 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 3.669 -7.486 15.559 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 4.367 -1.935 4.752 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 9.412 -2.029 -21.361 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 5.001 8.369 20.592 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 5.837 -2.490 -1.843 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 11.359 3.718 -8.493 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 15.367 0.154 8.902 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 -8.539 -0.484 -4.763 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 9.204 -15.574 -23.154 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 -8.549 9.905 -8.220 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 8.959 -0.401 4.377 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 -0.549 -8.736 0.029 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 5.721 0.385 -7.472 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 -1.829 1.884 0.909 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 -4.863 -3.807 5.170 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 -7.635 -7.933 9.781 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 -1.357 -0.404 -2.037 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 -18.709 5.439 -10.658 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 -8.520 -4.586 -5.995 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 -1.253 5.455 -0.012 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 -16.243 16.639 -6.306 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 38.908 6.308 27.018 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 -3.341 1.967 -1.999 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 -5.983 2.936 2.575 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 -5.922 -1.246 -4.691 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 -5.797 4.356 3.148 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 11.918 -2.665 -8.118 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 -1.518 3.809 1.953 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 1.648 4.249 -3.056 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 4.744 -6.263 -4.066 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 -12.476 -4.935 -4.579 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 0.903 -9.438 -4.881 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 6.064 -15.073 -24.611 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 9.342 -16.491 -12.874 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 -6.547 -0.350 2.512 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 -16.914 -15.842 -34.283 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 15.017 -7.610 23.988 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 3.506 1.261 -2.558 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 -19.247 -4.254 19.669 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 13.036 11.731 11.099 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 1.124 -0.830 0.271 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 4.066 3.906 -7.701 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 -1.008 -9.621 25.193 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 -0.534 -6.184 2.533 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 8.843 -15.662 9.405 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 -16.618 10.580 -12.071 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 0.121 2.421 -1.017 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 21.137 1.523 -7.083 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 -8.963 -4.842 2.906 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 2.761 2.407 -2.726 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 -0.062 5.281 -6.673 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 5.580 -0.619 1.064 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 -2.580 3.215 -1.133 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 7.467 12.346 -7.129 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 5.767 8.028 -6.752 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 5.330 4.514 -5.760 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 1.355 -26.957 18.539 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 9.477 0.273 -10.250 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 -2.425 -5.332 -7.296 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 -2.139 12.133 16.545 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 21.614 -6.353 -9.660 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 2.428 4.068 -3.001 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 4.326 4.644 -24.151 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 4.935 -3.225 22.851 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 1.531 0.119 7.098 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 -15.403 9.785 6.817 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 18.611 -10.474 0.188 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 0.318 -0.425 -2.125 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 -17.288 9.091 14.880 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 8.160 -9.154 -4.106 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 -1.558 -4.885 -3.940 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 -11.890 -20.610 -1.654 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 -15.448 10.795 1.555 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 -0.461 -2.332 2.625 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 6.026 3.270 -16.321 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 2.773 -6.563 -8.458 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 2.958 -0.695 -3.946 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 -7.610 -8.595 -6.542 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 -19.951 -25.195 2.149 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 -1.498 2.358 -0.813 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 4.149 -0.436 11.723 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 -10.620 -7.694 0.830 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 5.411 -4.959 -7.174 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 12.580 9.898 8.982 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 22.766 34.842 -7.516 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 -0.618 -0.654 1.794 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 3.504 1.099 -13.008 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 -12.753 -11.942 0.867 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 -1.364 2.851 -5.435 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 -13.183 2.716 -8.483 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 -1.250 6.331 5.576 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 -4.068 -2.732 -5.525 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 6.408 -15.214 3.328 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 -0.474 15.929 -15.997 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 -6.108 2.844 -2.071 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 -22.198 8.746 -7.673 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 -6.006 -31.770 -17.725 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 -1.426 -5.174 2.260 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 -6.949 -22.444 3.599 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 -10.836 -12.854 2.937 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 4.533 -6.071 -4.726 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 14.301 1.533 -18.953 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 -1.290 -4.507 -23.398 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 0.316 6.091 -1.981 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 -1.853 8.535 28.269 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 4.013 -1.299 -18.257 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 -3.751 -0.073 -2.776 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 -16.831 12.242 -14.810 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 -34.117 9.289 2.438 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 -3.405 3.009 -1.584 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 0.896 20.599 10.478 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 4.494 -2.614 11.521 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 8.923 0.209 -7.331 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 1.230 5.820 -15.108 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 3.713 -3.424 -8.973 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 7.402 -2.410 -1.579 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 -6.179 -23.673 8.256 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 -11.174 18.563 1.350 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 -1.126 0.581 9.004 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 -16.800 8.910 13.323 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 20.902 -8.105 1.216 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 -1.815 -4.671 -2.096 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 -17.531 18.525 1.589 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 3.709 -15.040 -4.907 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 5.255 5.883 -3.408 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 1.186 6.418 23.227 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 16.132 12.991 -18.497 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 -1.592 -3.488 7.781 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 -3.772 -3.823 29.958 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 -0.455 26.246 6.243 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 1.871 4.245 -3.649 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 1.050 -4.699 -3.277 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 14.927 22.196 -0.177 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 2.293 9.802 -1.771 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 -22.769 5.903 18.312 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 4.938 -25.790 3.710 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 -8.323 0.666 -3.957 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 -6.563 -2.411 -2.088 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 8.486 -6.475 11.811 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 -3.801 6.410 -2.653 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 12.032 20.967 -1.851 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 -14.535 1.654 9.538 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 4.640 5.820 4.025 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 24.847 -11.132 -5.727 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 -5.742 -1.001 -25.015 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 2.839 -1.939 3.374 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 25.420 13.680 1.790 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 -9.015 -11.715 -3.660 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 -5.189 1.447 0.770 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 -4.761 7.293 4.560 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 -4.131 -12.284 -5.662 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 -2.724 3.035 -3.346 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 29.588 11.663 -3.665 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 -0.177 13.737 -13.371 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 -1.331 7.141 3.380 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 -2.840 2.029 1.930 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 5.877 11.122 0.492 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 2.999 -3.613 7.702 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 -10.094 -14.478 -2.396 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 14.225 -15.881 8.199 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 -0.480 0.594 -2.735 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 19.409 31.960 2.990 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 -6.558 -8.386 -3.989 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 -3.492 -3.842 2.868 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 -2.311 -5.416 -10.153 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 -6.051 -1.725 6.568 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 -5.883 -3.714 -4.349 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 2.922 -25.571 6.758 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 -25.252 21.736 11.880 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 5.025 -4.130 2.892 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 -16.125 3.818 1.349 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 16.223 13.906 -4.644 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 -0.260 -0.023 -4.507 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 2.025 -21.593 6.100 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 -5.719 -9.351 5.871 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 -4.472 2.751 2.481 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 0.954 8.797 -8.444 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 3.013 -5.258 4.046 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 1.175 -7.907 2.795 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 5.659 -19.705 8.111 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 5.344 -8.047 9.833 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 1.037 1.690 -2.358 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 29.408 21.287 -22.150 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 -20.408 -19.035 5.670 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 -2.408 4.260 1.827 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 -9.830 5.965 -19.645 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 -4.448 12.955 -1.141 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 0.031 -1.654 7.620 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 13.279 9.099 -6.452 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 34.481 -0.932 8.323 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 -2.120 -4.630 7.504 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 2.669 9.463 -8.036 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 -0.045 6.924 -7.700 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 1.342 3.466 -5.389 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 9.886 -0.010 -3.659 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 8.481 -4.775 -4.852 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 3.066 8.300 -2.109 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 2.630 8.581 -1.581 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 -4.855 18.786 5.842 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 2.780 -0.074 -1.375 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 -2.791 -6.200 -0.774 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 0.054 -0.763 -1.422 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 -10.531 2.260 -1.293 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 -12.022 -3.252 -1.448 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 -12.067 21.669 10.138 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 -3.968 0.283 -0.287 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 3.221 2.905 -5.319 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 -5.888 -6.702 3.787 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 -2.779 3.222 -3.818 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 36.023 13.439 7.300 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 -8.904 -10.721 -10.708 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 -2.433 0.995 -2.891 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 -36.630 -11.275 15.040 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 7.825 0.854 -8.909 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 2.087 4.304 -0.604 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 32.879 -22.818 8.115 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 -22.496 -1.765 -2.324 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 -0.289 -0.263 3.222 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 -2.523 -3.967 4.583 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 -1.089 -5.089 -1.259 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 -6.328 2.350 -2.518 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 -20.020 -5.741 7.541 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 -9.766 5.065 -11.683 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 1.967 -2.736 -0.375 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 -1.750 -1.487 15.938 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 17.433 11.132 0.369 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 3.267 4.750 10.556 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 -1.093 22.388 9.929 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 6.314 4.128 -4.580 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 0.135 3.170 4.092 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 -14.474 4.859 -8.306 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 26.612 9.850 -4.311 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 -3.328 -7.207 2.798 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 -5.014 -6.639 2.845 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 -23.228 -9.677 17.590 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 -2.427 4.769 5.457 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 -5.048 18.832 -10.850 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 -6.864 -4.145 5.103 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 -4.216 -0.571 -2.610 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 -14.556 -8.345 3.904 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 -11.447 10.865 -9.793 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 3.382 -2.559 -0.430 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 -15.687 -3.991 0.371 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 18.040 -12.111 -0.699 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 7.951 3.852 1.130 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 8.520 2.839 -1.358 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 6.520 4.408 3.761 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 2.424 6.785 -5.012 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 4.120 -0.755 -4.445 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 8.622 -11.971 -7.812 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 4.155 4.566 -0.501 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 2.408 7.631 13.734 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 1.991 -13.571 10.041 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 0.066 -1.571 6.438 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 15.726 -20.495 2.964 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 22.999 -1.125 1.188 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 -4.273 3.657 2.068 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 3.365 12.740 -0.144 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 -0.535 8.639 -11.101 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 4.141 4.792 2.521 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 24.636 9.976 6.007 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 4.910 -3.964 7.407 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 0.946 -1.081 -2.694 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 -4.319 12.473 2.002 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 -10.930 -4.468 3.547 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 2.374 -2.037 -0.220 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 -13.667 -11.262 -1.463 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 5.280 -5.168 -4.243 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 -0.052 0.051 -1.795 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 -4.663 -3.532 -2.256 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 -3.978 3.156 -1.575 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 6.630 3.791 3.036 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 18.779 7.534 -2.152 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 0.318 30.390 -20.330 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 -4.158 1.068 -6.259 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 -10.463 2.591 -18.680 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 14.647 -13.675 7.049 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 6.046 0.995 -7.584 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 -26.041 -3.473 -14.725 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 27.432 -15.629 -12.064 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 1.249 -0.235 -7.016 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 0.240 14.155 -2.123 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 0.975 -0.950 -7.595 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 1.793 2.423 -2.750 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 -12.173 -9.761 -2.411 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 21.232 -13.531 -2.954 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 2.563 -7.476 3.700 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 3.045 -17.936 -12.102 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 -2.886 7.465 -3.144 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 -2.764 1.536 0.617 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 -12.221 -3.835 3.864 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 5.217 -3.815 6.534 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 2.829 6.773 1.528 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 -8.533 -9.918 17.697 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 -11.159 -17.648 26.018 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 -0.063 -1.005 -0.436 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 -2.570 4.063 -17.853 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 3.077 4.235 -2.316 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 -0.928 -1.874 1.895 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 -17.766 9.226 11.578 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 -9.897 -20.416 -8.668 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 -4.827 -1.030 0.796 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 -1.242 -8.057 -6.706 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 -18.755 8.489 6.306 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 5.818 -2.131 -2.538 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 -34.320 -11.222 -8.173 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 7.535 2.387 -5.113 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 2.103 -4.144 -1.210 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 -3.822 -8.643 -11.149 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 -1.581 -2.876 17.449 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 -4.309 2.282 4.121 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 -8.442 -2.625 7.255 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 11.652 30.993 1.899 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 2.634 -3.437 7.498 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 -3.446 -12.373 5.277 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 0.670 -10.526 15.843 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 -1.076 -0.775 3.874 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 13.933 -23.599 4.325 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 -2.905 6.841 3.087 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 -0.069 -1.496 -1.883 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 -18.342 -24.778 32.567 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 7.635 -9.613 -0.725 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 -2.735 -4.932 0.298 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 7.777 0.658 -7.195 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 31.062 -0.041 -5.046 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 -0.864 -6.806 3.385 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 15.160 33.938 8.456 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 -33.667 -9.282 8.220 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 -0.038 -6.721 5.613 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 15.541 13.821 0.250 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 23.502 28.101 -6.171 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 -1.304 2.801 2.769 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 -3.791 17.304 15.056 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 0.251 -4.467 -3.107 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 -0.614 7.939 -0.617 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 0.748 10.039 8.291 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 -2.353 5.072 -20.349 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 6.654 -5.889 -8.047 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 1.484 -0.961 -22.249 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 -7.122 9.344 -21.640 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 -11.432 -0.199 2.900 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 -11.725 -0.092 4.791 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 -5.221 12.845 10.136 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 0.649 -3.868 -2.586 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 -6.547 -12.758 -8.286 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 -0.768 -10.193 17.331 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 5.536 1.040 5.244 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 9.694 18.435 -18.547 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 -7.784 3.296 11.975 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 1.159 -6.725 3.000 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 -12.247 -1.782 -17.211 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 11.868 6.194 10.483 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 -4.194 2.480 2.229 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 -0.097 6.611 -2.261 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 -5.415 0.143 3.104 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 3.027 3.795 6.452 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 -11.973 6.859 11.001 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 8.651 1.000 -20.393 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 4.847 3.700 1.674 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 0.018 -10.882 8.855 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 1.097 -4.891 -19.154 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 -5.678 -2.006 7.729 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 -4.434 -1.313 16.342 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 8.022 -2.185 -20.070 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 -6.602 2.461 -2.139 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 3.266 15.578 -1.975 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 -8.048 -18.412 4.228 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 -0.050 -1.774 -0.374 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 4.674 5.580 -2.259 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 5.953 -9.084 1.083 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 -2.286 -4.989 3.510 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 -11.087 15.631 -5.559 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 -17.773 33.006 -13.979 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 0.497 7.237 -2.266 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 -17.134 -4.015 18.299 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 8.245 3.894 26.117 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 -4.630 -0.052 -7.326 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 17.088 -8.162 2.339 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 7.014 -3.298 -1.285 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 -0.795 1.378 -3.216 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 -1.732 -9.212 -5.789 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 -18.720 1.097 -14.907 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 2.902 8.842 0.114 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 7.186 0.024 -2.039 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 -5.596 30.050 6.794 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 -0.111 -3.872 7.992 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 -9.595 -6.615 6.767 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 -16.535 13.676 -1.193 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 -3.746 3.660 -3.996 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 -10.024 6.661 -14.879 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 -9.664 1.006 0.535 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 1.307 -1.026 0.491 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 -21.043 18.663 -17.237 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 6.995 -1.163 -17.196 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 -0.652 1.200 -0.355 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 18.126 -17.169 26.439 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 -13.985 -3.423 -17.578 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 -1.007 -0.034 1.053 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 3.505 16.124 0.443 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 -1.865 10.582 15.559 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 -4.338 4.762 -3.402 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 4.042 -11.708 -13.440 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 -16.259 11.258 7.136 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 -0.410 -0.150 -3.544 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 18.011 0.682 -2.479 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 2.667 -2.850 10.919 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 1.479 -0.740 -1.193 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 12.209 28.334 -8.274 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 -5.132 -8.762 -1.470 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 -0.578 0.339 0.469 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 1.610 -2.601 6.032 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 -6.603 3.784 1.567 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 -4.245 7.342 5.899 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 19.548 -9.519 18.533 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 1.973 -4.569 -5.841 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 4.742 -2.083 5.089 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 -7.826 -5.598 -4.638 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 5.641 -6.991 7.233 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 -3.268 0.936 2.071 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 15.202 15.240 -11.411 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 -4.494 -0.358 6.681 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 4.457 -3.297 -1.368 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 10.116 -0.749 -5.961 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 -2.577 -24.177 11.450 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 13.599 -1.389 5.717 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 9.832 -0.693 2.954 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 -9.783 3.536 0.915 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 4.078 -1.388 2.591 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 8.745 -7.790 6.021 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 4.994 -0.353 3.447 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 -5.609 -2.311 4.771 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 -6.804 7.179 4.294 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 -7.742 -1.124 0.797 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 -2.956 -0.341 5.010 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 -3.671 -1.719 9.812 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 4.164 -3.179 5.240 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 3.872 1.738 -2.530 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 8.165 -3.265 -12.244 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 1.594 9.024 -6.203 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 4.715 -3.367 -3.588 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 -2.862 -2.756 8.193 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 -2.239 -0.917 -5.151 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 -3.620 3.931 -0.783 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 19.422 7.784 -21.957 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 6.277 4.676 5.305 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 -1.816 0.169 -1.315 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 -12.181 16.852 11.442 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 -9.196 -23.028 17.236 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 0.796 -5.563 10.132 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 11.086 7.956 23.624 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 5.426 -3.407 3.888 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 -0.638 1.191 0.548 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 6.776 7.345 7.867 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 -0.599 4.462 -2.802 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 3.896 6.270 5.169 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 0.565 4.455 -5.883 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 17.452 1.736 -18.635 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 3.365 5.242 -9.426 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 0.490 -7.482 1.898 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 10.937 0.277 -7.975 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 0.911 -0.347 -3.455 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 -5.729 -1.492 -10.433 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 9.835 2.728 7.495 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 -0.507 8.820 -1.767 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 -29.844 12.041 -12.575 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 4.234 -4.555 32.458 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 0.257 2.713 1.500 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 -0.415 -1.340 -10.949 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 1.758 4.381 14.600 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 -4.939 -0.625 -0.786 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 17.821 -5.856 -5.015 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 -7.244 -3.731 -0.875 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 7.041 0.500 -4.295 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 -13.913 -17.136 -4.426 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 1.278 1.903 -35.903 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 0.923 -2.146 -6.137 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 -2.825 -2.801 3.891 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 4.165 -10.028 -0.878 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 -3.096 2.316 -2.887 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 -14.051 8.439 -24.028 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 -5.686 -25.752 -11.494 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 3.302 5.577 -1.680 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 6.100 21.376 48.431 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 -8.944 12.905 -14.869 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 -2.357 3.015 11.600 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 -0.407 -3.087 29.487 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 3.266 -5.334 24.156 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 -2.231 0.562 -2.735 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 -4.284 4.243 -11.738 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 -0.669 -4.160 -1.126 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 -0.565 -5.004 1.499 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 14.550 -6.347 -2.102 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 -34.800 -4.577 21.165 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 -3.150 1.713 2.747 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 0.795 -3.100 15.268 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 -3.148 6.090 3.750 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 -5.094 1.049 0.664 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 0.048 -37.435 6.940 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 9.264 25.754 34.520 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 6.102 0.056 0.622 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 -7.542 18.210 18.849 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 7.850 -7.325 1.861 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 0.138 3.702 1.525 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 -6.196 15.868 -15.034 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 -29.187 -3.616 -0.794 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 -6.461 9.337 -3.448 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 -7.814 12.619 -1.977 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 -1.710 3.409 -3.009 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 2.494 1.055 -5.805 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 -14.253 -2.822 -1.131 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 -14.687 4.023 -3.051 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 0.213 -3.038 -6.019 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 1.274 3.558 -12.861 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 3.775 -10.735 -9.907 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 0.982 -3.529 -2.396 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 -4.086 0.006 -0.787 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 5.359 1.793 -5.357 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 3.825 -3.531 -9.645 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 8.202 -1.897 -2.714 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 -2.009 -10.232 -6.564 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 -1.000 4.027 4.533 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 -5.915 9.570 4.910 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 27.902 -8.608 -9.452 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 -0.643 -3.249 -9.726 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 -0.652 11.265 0.812 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 1.974 -12.817 -17.837 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 -5.851 4.368 3.563 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 -2.342 6.552 9.185 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 -12.298 1.587 -6.195 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 15.480 7.086 4.596 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 -0.087 19.718 3.292 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 15.227 1.840 6.822 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 -3.292 10.890 -5.015 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 7.756 -8.440 -12.220 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 -12.671 7.224 4.227 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 1.690 -2.950 -4.614 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 -4.298 -12.554 8.535 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 19.442 0.555 6.202 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 6.249 -1.720 2.941 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 9.898 -3.534 4.800 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 14.872 -2.780 19.231 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 0.949 -2.303 -0.139 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 6.928 -13.296 12.268 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 -24.025 11.467 -14.584 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 1.091 0.039 -4.072 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 11.300 7.221 23.581 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 -3.882 3.569 -20.554 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 6.693 0.653 -1.454 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 7.272 1.121 -2.451 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 23.094 10.768 -13.863 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 1.689 1.513 -1.479 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 -18.330 -2.819 -11.605 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 18.978 -9.018 9.541 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 1.119 2.031 0.046 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 -6.866 16.840 3.460 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 -0.001 20.419 -3.056 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 -6.409 7.242 0.160 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 7.089 -8.948 8.352 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 -26.335 5.588 10.082 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 -0.543 9.809 -3.367 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 7.364 -9.614 -8.898 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 10.307 24.196 2.119 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 6.091 0.982 -7.200 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 1.087 11.824 0.566 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 -25.119 -13.342 2.094 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 1.901 1.725 -5.066 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 3.562 4.715 -7.219 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 1.152 7.941 -0.730 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 2.856 4.733 -1.586 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 25.282 -4.916 -1.216 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 4.598 -4.368 11.699 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 -1.913 6.788 -1.655 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 5.277 -2.999 13.633 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 -3.629 8.660 -6.805 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 -2.805 -0.938 -3.033 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 5.284 6.801 -9.462 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 -5.221 2.119 -1.814 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 1.893 -0.556 1.888 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 -18.571 -15.279 -4.603 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 7.657 -12.144 28.833 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 0.990 4.506 -3.287 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 -4.088 -8.303 -11.948 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 11.492 -0.022 2.670 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 -2.562 -1.614 -8.700 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 4.964 14.292 -10.829 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 15.833 -4.889 3.633 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 8.342 -1.415 -2.773 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 11.888 11.684 -4.919 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 -5.274 4.926 1.236 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 10.231 1.984 -3.926 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 15.067 15.492 4.022 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 -0.131 3.419 -4.871 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 -2.338 1.617 -4.770 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 -22.652 -10.844 23.987 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 -14.869 -4.475 20.354 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 3.853 2.298 2.283 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 14.191 12.828 -11.890 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 -7.397 -8.054 16.135 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 -3.505 -4.562 1.670 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 7.822 6.147 24.570 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 13.797 6.743 -18.593 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 9.125 -3.325 1.623 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 4.003 -8.632 2.284 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 7.727 -0.113 -2.650 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 -2.081 2.827 -5.357 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 -6.311 -14.016 -5.709 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 10.444 9.913 2.877 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 -5.444 -2.420 -4.561 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 5.094 3.624 10.509 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 21.995 -15.029 -9.001 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 3.436 -1.221 4.855 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 -19.989 4.589 10.554 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 -7.334 0.248 7.133 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 2.065 0.706 6.772 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 -13.674 4.362 -5.786 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 -3.273 4.479 1.510 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 -1.850 3.888 1.126 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 23.656 -3.700 -5.688 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 8.419 -7.041 -5.161 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 0.449 2.939 2.865 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 -4.083 1.976 2.869 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 0.759 5.581 -2.475 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 -3.413 -2.534 -3.017 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 -14.859 -4.687 -7.665 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 0.304 -9.264 4.811 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 -10.010 -0.893 -3.909 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 -25.307 1.891 -6.990 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 3.599 -2.272 -2.322 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 -1.402 -1.383 1.211 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 19.657 -5.925 37.105 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 8.784 3.852 -11.145 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 -0.573 5.450 -0.796 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 12.225 2.609 -10.091 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 8.665 -2.408 6.729 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 -3.891 5.567 6.353 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 -2.800 -12.247 14.526 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 -4.074 15.215 -1.180 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 3.700 1.869 -4.393 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 21.615 -15.010 20.290 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 -15.158 6.217 25.092 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 2.996 -3.563 0.260 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 10.310 22.108 6.708 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 13.926 -12.939 -4.217 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 -1.118 8.293 -8.960 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 -6.735 4.077 -10.727 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 -6.583 -0.645 -7.030 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 2.318 -1.978 -1.781 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 1.617 -11.751 21.249 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 0.367 -17.039 7.546 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 -0.194 -1.838 -1.382 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 4.834 -15.224 -7.417 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 -10.110 -2.719 -0.583 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 -7.217 -4.369 -0.972 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 -13.177 -4.200 -0.958 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 4.151 6.709 -2.736 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 -1.961 3.258 0.319 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 -9.874 2.770 7.416 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 -8.119 -8.957 -5.038 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 -1.944 -2.570 1.699 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 15.140 0.632 -7.495 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 -13.955 8.434 -13.670 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 3.218 5.060 1.538 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 16.300 1.913 18.178 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 -0.563 -2.500 5.631 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 2.290 -5.150 7.625 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 1.256 -8.246 11.001 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 -8.411 -8.590 7.097 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 -1.930 4.180 3.356 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 -5.236 -4.385 -4.653 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 8.834 6.691 9.347 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 3.101 1.674 -0.521 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 1.366 -3.110 1.340 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 1.841 11.469 1.018 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 7.425 -1.109 -2.487 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 7.190 2.911 -3.240 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 -3.095 8.855 -6.466 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 2.013 -4.659 1.020 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 10.125 13.524 20.637 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 -3.605 -29.192 19.424 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 3.602 -5.203 3.019 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 29.877 -1.402 -21.876 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 22.233 -5.750 6.143 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 -3.779 3.631 -9.769 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 -16.011 -3.429 6.103 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 9.795 21.149 -16.896 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 -7.229 1.028 -0.248 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 -5.312 0.664 8.914 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 3.004 3.129 -8.802 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 1.094 -1.031 -2.527 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 3.186 -3.099 1.911 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 -1.526 3.112 4.680 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 -0.610 2.664 -1.566 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 29.095 -41.382 15.538 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 -5.022 -0.211 8.285 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 -1.165 2.137 -0.650 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 -19.972 6.708 -3.448 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 0.725 10.781 -21.127 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 -6.984 8.876 -9.400 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 -11.349 -12.672 -17.133 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 14.734 -7.363 -16.461 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 -3.517 -0.018 2.150 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 -19.423 0.679 -0.781 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 20.163 -0.752 5.203 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 2.617 5.871 -0.916 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 14.876 -12.830 5.675 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 8.626 -11.827 -2.872 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 3.006 -0.517 -0.890 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 1.982 2.357 2.538 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 6.582 4.064 16.880 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 0.990 -1.021 0.289 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 3.971 -5.128 8.048 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 14.903 17.230 -1.924 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 -2.093 3.380 2.212 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 -9.292 5.848 -9.054 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 -13.852 -2.670 -14.682 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 -3.600 -8.318 1.818 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 16.464 9.573 -14.072 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 0.210 5.414 -6.791 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 -2.841 2.629 0.798 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 -24.712 0.669 -8.191 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 17.189 -3.106 8.968 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 1.833 0.745 -2.526 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 -23.227 6.238 0.843 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 9.063 16.949 13.219 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 -3.859 -1.998 -1.010 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 -0.584 -4.154 -5.354 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 -0.301 -12.081 6.304 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 -4.864 0.596 2.274 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 3.821 -8.369 12.030 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 -6.142 -9.483 -10.387 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 -0.764 5.609 5.974 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 6.415 1.634 9.853 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 3.347 4.440 20.715 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 -1.318 3.414 6.129 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 -2.704 0.633 3.584 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 -14.190 -3.103 -14.795 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 -2.080 -0.172 -1.832 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 3.967 7.486 -8.762 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 -3.687 9.592 9.943 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 8.325 -1.842 -2.889 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 9.273 2.185 -6.428 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 5.465 -11.096 -9.543 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 2.196 -1.427 -4.937 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 -13.817 18.154 -25.016 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 -2.484 16.454 5.944 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 -1.665 5.102 1.005 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 -4.041 -1.142 1.953 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 -1.371 12.994 11.767 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 5.423 0.014 0.364 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 -11.321 -12.651 3.887 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 11.238 10.061 19.780 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 -0.995 -3.569 0.195 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 11.013 5.428 0.822 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 3.316 -13.350 15.767 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 -1.193 7.578 1.496 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 21.205 2.529 -5.685 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 -14.621 12.323 7.797 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 0.116 -4.654 -3.136 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 -4.722 -7.048 12.268 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 -2.395 -1.308 -11.968 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 -6.383 -8.765 -4.950 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 0.403 6.014 10.363 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 -1.760 -3.270 1.022 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 0.216 1.278 -5.737 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 -14.692 43.906 5.643 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 -13.355 -19.771 6.624 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 -1.422 4.072 -4.712 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 -9.939 -4.196 -7.450 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 -13.016 -7.126 -9.736 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 -4.664 2.909 2.424 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 -4.795 0.803 -4.965 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 -10.521 4.446 2.584 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 -3.866 3.676 1.783 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 -6.445 2.574 6.496 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 -8.675 -1.026 -2.237 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 1.751 -0.055 -8.208 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 -0.554 -8.191 -8.233 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 -3.364 3.989 -2.826 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 -6.427 4.599 -0.205 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 9.062 16.485 8.891 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 8.890 1.004 -16.902 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 4.383 3.882 1.984 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 -11.400 30.117 -18.108 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 7.036 6.467 13.431 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 3.879 6.104 -2.050 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 -36.591 9.956 -6.871 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 -29.255 -25.257 -9.817 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 -0.377 1.857 1.651 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 4.380 11.344 18.944 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 -23.603 -6.329 -0.691 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 -2.030 -1.191 -5.403 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 15.992 -1.428 -8.971 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 20.469 -4.368 -21.631 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 -2.415 2.291 -2.389 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 -19.790 -47.688 -3.636 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 9.343 -5.013 -8.709 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 -3.616 6.465 1.480 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 -3.277 5.509 14.381 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 -7.993 8.733 -17.965 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 2.931 -0.465 3.116 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 0.016 7.732 -2.073 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 6.394 1.647 -10.013 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 0.487 2.417 2.483 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 7.900 2.827 5.371 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 -24.523 -6.404 -0.778 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 -2.463 0.040 -2.261 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 -2.639 -2.109 -19.200 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 13.552 9.230 -23.557 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 -5.996 -2.531 5.657 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 6.632 0.394 -6.096 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 -1.040 6.138 6.092 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 -2.295 -4.757 0.647 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 -1.111 -6.722 1.567 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 -2.123 -2.472 0.288 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 1.357 3.294 -0.213 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 -2.442 -0.721 -12.226 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 14.915 2.985 1.654 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 4.848 -7.189 -2.392 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 -5.698 -6.546 -18.323 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 15.490 11.967 4.759 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 0.486 3.476 -2.867 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 32.766 5.327 5.949 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 -0.684 -8.011 -5.433 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 -1.136 2.313 3.027 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 -9.098 -5.884 -1.502 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 5.254 -1.758 7.971 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 2.618 0.152 -9.197 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 -8.148 2.828 5.945 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 8.637 6.136 15.022 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 -8.586 -3.443 -1.712 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 22.863 2.039 5.524 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 7.762 -0.338 2.501 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 -3.735 4.601 -0.567 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 -31.808 -8.049 2.590 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 16.683 22.153 5.116 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 -4.992 3.277 -1.983 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 -3.973 6.463 -24.754 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 13.748 -1.843 2.467 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 2.041 -4.589 3.339 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 0.617 0.847 2.912 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 16.345 -25.570 15.213 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 0.981 -6.403 1.383 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 9.264 -22.861 2.077 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 -10.768 9.014 29.029 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 4.572 1.918 1.406 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 -7.354 -1.780 13.673 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 21.210 4.621 9.190 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 -7.502 -2.149 2.272 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 0.983 -0.885 3.055 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 3.530 -0.858 4.652 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 -5.335 -2.295 -2.941 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 -13.184 1.735 -11.984 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 -7.172 -0.573 7.480 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 -1.236 6.333 1.048 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 0.170 -10.648 1.821 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 -6.941 9.738 10.918 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 -3.260 -2.227 2.169 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 1.271 -5.123 -10.402 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 7.866 -6.043 12.652 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 -4.923 1.851 -4.413 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 6.821 -12.782 -12.467 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 -2.088 -0.666 15.661 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 -7.989 1.384 4.668 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 25.838 3.102 -16.893 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 -38.022 2.068 7.271 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 0.423 -1.920 0.460 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 -13.360 20.110 -17.649 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 13.197 -11.867 -14.412 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 -0.425 -7.879 -2.040 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 -1.671 5.750 -0.663 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 -1.688 5.209 -0.696 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 -6.058 -3.722 6.497 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 -20.008 9.029 -12.335 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 -12.722 10.587 -3.878 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 8.329 -0.522 -4.040 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 18.792 -6.557 2.590 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 -7.300 7.797 -14.667 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 2.331 8.375 0.960 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 -5.922 4.772 -1.575 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 16.060 11.737 2.752 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 -4.076 -0.509 -4.191 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 -4.212 19.092 -7.688 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 -12.803 -20.252 -13.559 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 5.278 -2.151 -5.214 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 3.781 -32.564 -8.904 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 6.486 5.494 11.973 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 0.625 4.855 -4.872 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 -14.966 21.113 -4.221 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 19.645 0.844 -19.411 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 0.589 -3.332 -2.563 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 1.512 12.639 -29.090 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 23.437 -19.438 -2.040 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 0.565 -0.133 0.499 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 2.056 2.194 3.403 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 0.532 -0.684 8.249 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 -1.124 0.959 -0.108 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 18.236 31.261 10.791 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 -7.456 -4.500 -8.935 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 -0.625 0.757 -0.195 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 -0.882 -0.222 0.498 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 -0.227 1.208 0.317 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 2.599 1.404 -7.176 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 -0.875 9.639 -4.643 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 25.684 -9.950 -31.171 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 -5.121 -6.722 -0.385 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 -2.277 -6.346 2.199 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 3.609 -5.063 10.660 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 3.523 11.721 3.620 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 -3.373 13.237 12.702 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 -4.608 6.814 9.023 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 6.242 6.990 -4.605 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 2.753 17.915 -9.162 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 9.744 2.549 -1.872 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 -1.472 -3.800 -6.176 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 -0.546 0.454 -1.956 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 4.424 5.391 -5.442 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 -2.691 -3.412 -3.202 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 1.304 -7.231 8.823 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 20.312 23.272 -5.550 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 1.795 -1.184 1.817 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 19.746 -19.961 -7.393 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 -37.093 -2.612 -7.175 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 -0.824 2.186 2.704 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 -11.287 1.315 -8.781 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 8.061 7.658 12.203 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 1.467 3.571 4.154 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 -20.387 5.230 -16.951 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 -5.806 4.782 13.822 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 -1.290 4.167 2.692 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 2.104 0.409 3.287 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 0.514 -0.463 4.278 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 -5.569 3.972 2.632 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 -32.989 6.793 -3.242 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 -0.513 -6.136 -6.646 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 -0.335 -1.953 -2.575 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 4.063 2.962 13.171 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 23.331 5.597 -1.400 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 -7.212 -0.004 -8.861 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 0.213 1.965 2.037 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 1.284 1.344 -3.635 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 2.172 -1.105 -5.491 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 -7.070 3.466 7.041 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 -16.756 1.302 -6.394 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 4.225 7.517 1.895 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 3.764 -0.629 -16.434 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 9.532 7.527 -2.864 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 0.908 2.858 3.013 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 2.511 2.847 1.053 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 6.718 14.790 -2.190 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 3.428 2.926 3.026 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 19.614 16.095 24.624 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 8.088 -8.781 12.206 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 -1.200 5.271 5.011 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 -2.723 3.469 25.980 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 -4.381 -17.246 -4.392 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 -0.304 4.127 3.004 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 12.659 14.926 4.325 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 -17.404 -5.820 -23.100 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 3.487 2.558 -5.285 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 -2.038 7.649 -12.514 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 -13.061 16.222 14.048 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 -2.812 2.469 -5.706 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 -10.532 28.689 0.576 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 -20.189 -22.563 4.550 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 -0.785 -5.874 -3.539 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 4.962 -0.680 -13.426 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 5.912 -15.110 -3.604 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 -0.901 3.338 -1.252 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 15.095 0.382 15.438 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 -13.774 10.762 -15.351 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 -1.733 -6.468 0.843 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 -15.978 -7.372 10.469 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 -16.920 -6.709 0.138 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 5.313 3.347 4.418 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 32.902 -13.496 20.933 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 7.757 2.106 8.956 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 2.419 -0.589 5.824 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 -9.478 9.241 18.683 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 0.384 -13.205 10.271 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 -2.825 -11.811 -1.462 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 -3.741 -8.019 18.043 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 -2.800 1.886 12.632 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 -1.329 1.188 -10.093 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 -3.575 -9.462 -18.479 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 -13.331 -22.670 5.325 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 5.943 -0.368 0.312 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 -1.119 -11.870 -5.576 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 6.577 8.296 5.704 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 4.689 3.210 -5.523 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 4.382 3.541 -6.444 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 8.953 2.197 -3.680 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 8.980 1.375 0.847 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 -2.128 16.780 -0.670 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 -5.850 26.204 5.979 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 -6.795 1.241 3.292 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 -11.729 -0.824 -3.842 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 -9.469 9.593 6.036 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 1.008 -0.187 11.685 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 0.818 19.987 12.517 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 5.921 -22.315 -1.286 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 6.593 2.219 -5.277 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 12.983 4.037 2.672 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 -15.324 -4.309 -28.811 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 -6.210 -7.534 5.216 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 -12.425 -9.872 18.933 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 -6.461 -8.261 19.924 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 3.265 1.454 1.613 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 -0.343 5.560 8.233 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 11.306 5.462 2.239 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 9.784 3.536 6.406 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 1.781 -8.746 15.284 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 -5.322 -3.552 1.382 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 -8.046 1.987 -4.605 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 -5.590 -2.756 12.383 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 -13.188 0.057 7.145 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 -0.157 1.678 5.167 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 -15.933 2.489 -17.481 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 -18.358 16.042 15.053 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 -3.287 -6.592 1.506 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 9.765 2.071 8.865 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 -2.367 7.165 -4.375 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 -5.494 -3.700 6.862 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 6.464 -10.330 -28.174 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 29.139 0.325 12.339 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 1.303 2.725 2.266 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 -4.152 6.348 22.481 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 6.549 -1.185 -25.969 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 -0.173 -7.450 -3.787 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 -4.786 -8.408 -0.637 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 -7.632 -8.644 -2.729 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 1.936 -1.275 -6.110 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 -16.093 2.262 13.253 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 22.256 -0.359 -20.094 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 -0.070 10.045 -2.493 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 20.283 3.298 -8.087 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 2.901 16.676 -10.961 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 1.992 -2.217 2.947 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 -4.815 -1.155 -7.945 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 -5.346 6.188 -10.416 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 0.516 2.379 -8.708 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 -2.967 -4.165 8.186 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 -11.304 -12.443 10.516 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 2.285 0.170 -0.246 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 19.966 -18.440 17.244 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 4.188 5.284 -8.273 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 1.238 6.751 -3.659 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 -1.194 -6.138 10.782 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 8.269 -17.688 -6.427 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 1.304 -3.909 -0.172 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 1.302 -1.905 13.801 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 -1.270 3.817 19.257 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 -1.752 4.391 7.701 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 4.890 14.112 13.153 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 9.817 10.103 5.143 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 5.463 4.018 1.678 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 -6.493 8.506 -18.959 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 -13.765 -15.610 7.319 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 -0.975 -6.001 -3.994 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 7.467 -18.123 3.846 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 0.096 -11.161 -0.768 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 -11.129 -6.108 -1.952 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 -4.623 -6.668 -9.072 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 -11.597 -7.062 2.620 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 4.866 -2.679 -0.352 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 11.199 5.827 -4.241 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 19.053 -17.409 10.309 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 -3.331 1.929 -3.498 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 3.003 -12.285 -14.463 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 10.768 3.934 9.845 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 -3.466 -1.081 -3.484 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 -6.943 0.072 6.562 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 -2.853 -1.883 -2.116 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 -7.549 2.189 -0.317 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 0.879 3.019 -5.794 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 -7.551 -7.811 3.263 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 -0.049 -0.906 0.622 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 22.407 -3.237 15.383 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 -4.308 -4.421 0.620 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 -6.323 1.822 4.261 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 7.739 -2.587 1.640 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 -11.306 4.569 -9.063 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 2.857 0.309 3.682 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 5.222 -4.263 9.919 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 0.963 6.051 7.565 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 1.391 -2.967 -1.323 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 21.275 22.330 15.560 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 -15.617 10.712 10.372 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 -0.282 -2.941 -1.833 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 6.675 -8.495 -1.912 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 7.295 -5.030 -4.946 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 -1.322 0.595 5.306 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 1.793 5.499 -3.786 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 -8.766 -8.339 2.401 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 6.164 -1.575 -2.707 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 12.437 3.451 -17.180 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 4.797 -1.069 -3.915 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 2.720 -2.656 -1.029 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 16.551 16.831 -13.945 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 22.921 11.339 -8.511 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 -0.335 -3.143 1.213 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 -6.434 1.798 20.225 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 2.110 -9.675 -12.137 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 4.607 -3.549 -6.678 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 -8.731 2.976 -5.152 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 -0.130 -4.021 1.315 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 5.396 3.965 -1.640 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 18.815 4.364 -4.357 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 -7.946 16.190 -3.851 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 -3.392 -7.972 6.585 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 9.151 -22.714 0.315 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 -29.275 16.984 12.587 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 0.931 2.169 -1.448 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 2.929 -8.193 37.499 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 -11.238 -8.217 -11.926 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 3.290 3.355 6.076 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 -1.315 13.495 9.397 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 -1.806 3.693 6.925 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 -8.156 0.592 -1.429 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 -2.207 -4.164 -4.355 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 -18.334 2.088 9.549 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 2.688 5.896 1.993 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 -33.166 12.180 -2.047 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 17.656 2.141 3.498 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 8.415 3.018 4.677 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 11.782 2.809 6.618 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 5.682 0.689 6.737 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 -0.320 0.505 0.694 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 -1.119 -0.202 1.000 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 -11.814 5.478 11.948 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 6.437 4.390 5.971 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 21.526 -4.458 17.846 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 7.295 9.001 9.759 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 4.155 4.743 0.473 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 -13.184 6.420 -10.201 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 2.800 21.741 17.541 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 -1.034 -1.550 5.379 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 7.342 -14.144 20.269 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 -3.365 2.441 0.025 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 5.171 1.407 -3.317 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 14.111 -11.845 -39.699 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 3.246 14.528 9.210 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 -0.910 4.886 4.278 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 12.896 18.673 -16.925 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 8.599 -30.478 -4.182 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 -7.217 2.162 -0.244 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 4.125 -1.420 20.833 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 -19.646 -11.617 19.304 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 14.112 -0.049 -6.100 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 10.913 -0.721 -4.604 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 16.134 -1.151 -8.802 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 -8.398 0.865 3.635 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 -1.748 -19.549 -14.465 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 11.298 8.623 15.680 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 -2.046 -2.953 -5.002 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 6.162 9.899 3.253 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 -5.505 -15.180 -4.707 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 -4.496 -1.828 -0.672 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 -17.386 9.313 -11.718 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 -4.119 30.549 6.233 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 -1.961 6.829 -1.358 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 -0.703 -22.925 9.823 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 8.311 9.102 26.440 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 1.843 4.743 -0.909 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 1.990 4.630 -7.028 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 24.139 25.265 33.713 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 3.539 -1.610 -1.886 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 -10.471 17.342 9.540 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 -6.868 3.590 20.111 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 -0.023 -1.017 -12.121 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 6.564 1.175 12.838 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 -19.781 13.442 -14.638 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 2.712 -5.048 2.204 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 0.915 6.021 -5.395 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 10.114 -13.226 -0.296 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 6.695 -0.877 2.042 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 30.002 -3.686 19.461 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 15.606 1.143 7.793 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 -5.531 0.263 -6.313 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 -1.742 18.473 8.725 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 -4.690 5.048 -6.761 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 2.028 0.544 -5.428 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 9.572 2.439 5.819 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 -7.845 -8.792 -2.581 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 1.933 -1.788 -4.102 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 -8.094 -5.197 6.719 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 39.918 3.452 -17.227 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 9.945 -1.050 1.801 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 10.022 8.859 8.099 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 9.267 -6.845 11.114 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 -6.575 5.219 1.756 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 3.033 -3.477 7.055 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 -13.513 -4.911 1.667 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 -2.049 8.633 -3.975 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 -15.416 23.868 1.192 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 12.197 14.669 -22.470 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 -0.539 1.159 5.043 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 -3.209 -8.732 16.262 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 -2.853 -4.550 10.219 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 1.079 6.117 -8.511 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 -13.023 -4.548 11.757 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 9.411 -10.573 0.226 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 4.973 0.918 -1.471 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 -6.850 5.567 7.075 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 -10.052 -4.378 2.246 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 -3.953 3.209 3.343 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 16.833 -7.215 18.210 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 6.257 14.799 15.097 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 -4.286 -5.288 1.846 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 -23.304 -7.658 7.751 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 2.185 -12.317 17.765 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 -1.997 3.650 1.242 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 -10.799 -14.332 -16.337 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 -19.091 -2.172 22.759 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 5.157 4.155 -1.402 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 -9.518 1.593 -9.596 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 -3.138 -7.027 14.984 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 -1.148 4.576 5.786 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 5.486 -29.404 -13.344 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 11.440 -3.147 6.839 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 1.566 -2.545 0.637 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 -6.552 -22.261 -6.643 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 -9.046 -7.015 -12.544 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 -0.057 6.669 1.125 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 7.547 -3.879 6.690 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 -1.604 3.215 -6.065 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 3.008 0.990 2.618 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 -6.849 22.176 16.587 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 -2.905 9.472 8.501 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 -0.725 -0.499 -5.203 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 0.016 18.537 0.675 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 -5.747 -3.208 -41.555 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 4.991 5.084 9.195 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 7.679 -0.857 10.805 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 -3.798 8.500 16.295 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 -2.845 -0.136 4.724 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 -2.115 0.471 5.830 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 2.842 2.628 4.987 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 -3.791 -0.523 1.513 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 18.088 -25.128 -10.325 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 -7.930 -13.229 -30.617 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 -4.253 3.362 0.148 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 -19.873 -3.824 -2.508 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 32.449 13.290 8.663 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 2.012 -1.378 1.320 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 -0.472 7.807 -13.422 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 -4.470 27.300 -9.306 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 -0.718 -3.319 2.592 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 10.610 4.500 -5.691 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 -15.119 4.984 3.105 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 -3.677 -3.840 0.534 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 9.163 2.027 -14.364 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 -25.402 -3.424 -8.681 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 5.358 -1.484 9.970 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 -4.222 -13.962 11.664 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 8.729 1.725 6.177 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 4.760 0.456 -9.030 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 15.879 8.967 25.759 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 24.157 5.684 1.507 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 1.564 0.714 0.510 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 1.255 1.104 2.910 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 -1.783 0.011 -2.446 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 1.200 -2.173 -0.089 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 6.090 -3.459 -4.909 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 15.034 -14.639 -14.914 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 2.070 -0.809 -0.590 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 -11.159 -5.818 -11.217 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 12.769 -10.019 4.356 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 -3.526 -5.701 6.964 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 8.922 -4.232 -2.909 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 -9.253 -8.785 9.695 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 -2.940 3.340 4.804 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 -5.204 -18.449 -10.700 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 -2.070 -13.888 -9.883 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 -1.180 0.222 -1.155 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 -17.023 -2.580 -9.747 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 16.821 13.215 19.693 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 4.065 -1.737 3.102 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 -7.808 -15.869 1.586 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 10.364 5.771 4.574 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 -1.265 -2.762 -2.069 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 -8.802 -24.668 -0.532 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 -4.039 7.493 -6.525 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 3.478 0.979 0.798 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 10.546 14.398 22.240 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 -20.310 -6.563 5.722 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 -2.104 5.905 -0.884 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 -23.536 8.718 -8.256 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 0.178 16.785 5.773 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 1.802 -6.829 5.496 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 12.923 8.660 -2.273 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 10.908 7.378 -1.307 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 -0.225 5.599 -3.539 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 7.357 -8.694 -11.858 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 -16.889 19.882 7.857 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 -9.429 8.338 2.437 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 -9.426 7.493 -8.411 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 -8.734 10.117 -5.378 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 -3.649 3.154 0.301 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 -0.263 10.308 -4.758 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 3.203 2.090 -7.851 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 -2.231 -5.386 -11.370 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 -2.198 -10.334 -14.631 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 6.115 -0.857 -9.885 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 -7.821 -0.337 1.326 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 -11.902 -7.448 -10.417 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 -16.558 11.279 5.186 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 -5.930 -7.121 3.654 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 -5.420 -8.727 -3.099 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 -2.043 -2.905 7.525 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 1.325 -7.069 -0.947 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 6.381 -28.513 4.119 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 -6.095 8.392 -4.140 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 2.758 -2.340 3.136 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 8.987 -7.467 4.038 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 10.746 -7.577 12.474 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 -3.967 -7.392 1.363 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 1.425 2.091 -2.116 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 -2.888 -7.969 1.995 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 -4.187 3.609 8.183 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 -14.136 -2.398 -33.945 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 5.770 -14.576 -5.443 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 -6.429 1.252 -3.658 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 -11.173 0.072 -10.780 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 19.749 11.667 -24.495 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 -1.170 1.808 -6.879 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 18.443 -1.343 -1.134 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 7.223 5.825 10.062 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 -0.085 8.770 2.898 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 -0.059 2.901 -4.230 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 2.301 11.849 18.969 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 -0.913 -2.191 4.526 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 -3.958 -0.774 -5.817 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 3.039 -7.146 8.812 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 0.289 9.266 6.655 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 -6.734 14.547 1.260 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 2.423 0.894 0.497 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 4.682 -1.328 -3.953 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 5.032 -11.827 -14.877 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 -1.258 24.154 -1.811 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 -0.014 -3.928 4.709 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 11.482 -3.420 7.842 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 -8.193 -4.410 3.192 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 -1.239 3.503 3.106 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 -10.525 6.950 -25.283 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 -7.673 5.001 -12.988 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 4.133 -2.901 -1.799 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 25.269 25.245 -13.441 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 3.343 12.289 31.528 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 3.020 3.300 -3.433 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 29.862 36.835 -12.933 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 -4.458 -6.361 18.007 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 4.971 -5.342 -1.357 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 -14.799 1.259 10.622 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 7.783 -15.019 6.716 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 -0.563 4.148 2.808 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 13.890 12.413 20.424 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 10.214 -6.946 -9.802 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 -0.647 7.267 0.396 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 22.719 1.172 7.465 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 9.260 15.018 2.506 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 -1.468 -0.545 -1.363 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 17.736 0.700 0.228 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 -0.717 -14.491 -11.642 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 -1.639 2.117 -1.030 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 -11.254 -1.377 6.078 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 5.432 13.864 7.624 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 -1.100 4.605 -2.377 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 27.672 31.879 -14.299 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 9.693 -6.254 15.085 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 4.230 -6.836 -5.480 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 3.132 14.473 -8.196 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 20.821 -18.289 0.152 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 5.888 -1.186 -1.348 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 -15.829 -10.900 -9.073 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 -14.360 17.100 -0.957 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 6.306 0.372 -1.055 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 5.568 -7.287 -1.942 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 -12.980 -26.887 3.556 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 -3.155 -5.791 -3.588 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 -20.289 -1.671 -10.709 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 27.677 -15.169 8.284 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 -4.736 -4.459 4.190 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 -2.926 -19.880 -11.910 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 -5.141 -25.818 -16.131 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 -1.842 -9.074 1.404 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 -14.084 0.967 1.483 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 9.336 -1.110 4.786 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 -1.072 2.918 -2.280 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 -0.795 -14.748 -1.680 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 4.553 6.662 -19.011 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 -1.963 1.756 -1.288 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 4.021 -2.112 1.142 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 -5.122 2.429 14.973 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 -0.518 0.287 3.373 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 -20.904 -10.162 0.764 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 -5.134 -8.311 -17.866 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 13.946 2.892 1.182 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 -2.893 7.686 11.168 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 6.738 -3.115 1.801 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 0.906 -0.288 4.571 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 -26.743 8.820 12.101 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 22.194 2.869 -13.719 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 -3.988 3.357 5.354 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 0.526 2.109 -2.703 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 6.520 20.244 2.346 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 -0.798 -2.243 3.574 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 -8.305 8.007 -14.378 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 -3.407 -0.088 -2.048 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 2.766 2.079 3.506 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 -4.389 -12.112 -3.843 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 1.227 1.379 5.989 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 -5.762 -0.746 3.831 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 -2.470 6.599 4.984 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 -6.415 4.258 5.864 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 5.523 -0.779 -8.722 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 18.938 0.431 -17.296 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 5.348 11.779 -5.421 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 1.885 0.223 -2.862 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 11.025 8.290 10.554 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 15.270 3.470 8.263 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 0.940 0.829 1.991 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 -5.273 -4.008 13.505 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 -0.530 -7.278 4.482 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 -3.022 2.981 -0.395 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 -6.194 -26.603 11.116 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 7.163 12.710 -12.631 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 -3.153 0.554 4.933 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 -3.695 29.376 23.139 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 -1.072 2.545 11.398 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 0.627 5.016 -0.544 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 -15.303 12.170 -2.887 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 -3.744 14.738 -8.519 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 -2.932 6.843 -1.541 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 -10.947 10.947 -10.262 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 -15.510 11.574 -13.240 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 -1.441 2.358 4.159 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 19.790 5.255 24.932 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 8.150 -19.340 -14.748 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 2.494 5.131 -0.182 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 6.370 -7.114 -18.838 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 -20.898 3.495 22.543 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 3.332 1.588 -6.211 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 0.583 3.657 -12.976 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 8.669 -5.769 6.238 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 -0.032 -6.346 1.554 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 -1.215 -22.288 1.646 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 2.129 -14.471 6.370 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 -2.289 11.696 -1.771 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 -5.172 6.006 3.871 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 -0.788 -0.188 -26.844 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 2.063 -0.651 1.654 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 26.254 0.305 -0.589 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 -3.867 3.061 19.018 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 -4.012 2.590 -5.293 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 -2.039 33.995 9.074 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 -7.602 12.750 -5.200 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 7.770 1.703 -0.065 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 6.038 -13.653 26.275 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 15.022 14.326 -12.946 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 -10.896 5.485 2.421 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 8.043 -7.964 -3.682 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 -2.797 -13.340 -7.277 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 -2.729 -4.795 -4.073 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 11.853 -31.034 5.221 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 -8.809 3.193 -5.513 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 1.448 5.313 4.373 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 -8.403 1.771 11.145 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 6.070 -3.476 -6.984 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 -4.790 -1.921 0.958 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 -10.457 -11.861 9.558 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 -2.793 -8.602 -6.195 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 -0.891 -4.946 -0.660 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 -9.697 -18.854 34.360 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 -1.588 -5.401 -2.808 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 -4.478 0.267 8.321 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 -7.909 17.816 28.675 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 17.908 -10.821 25.598 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 -3.248 4.402 -3.557 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 -9.007 3.862 3.323 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 -5.389 -0.853 -5.802 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 2.770 1.092 -2.549 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 -4.091 -25.767 22.530 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 24.450 5.364 12.319 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 1.550 -4.650 -7.831 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 -9.587 -5.035 -6.828 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 19.865 -3.858 -23.740 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 -0.440 -1.805 0.647 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 -8.127 -17.774 -6.741 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 3.889 8.431 6.291 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 3.818 -0.358 0.482 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 6.004 -8.052 30.283 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 10.140 14.537 -1.238 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 5.698 2.905 -3.137 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 -17.533 -7.112 -31.291 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 -3.735 -12.616 -3.625 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 -1.864 -1.686 3.154 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 -13.150 -13.122 0.064 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 16.230 0.675 -10.111 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 -6.439 0.402 6.272 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 -5.655 4.395 11.070 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 -5.323 1.495 2.999 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 -4.856 -3.380 -4.301 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 3.608 -12.730 -11.559 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 -3.677 2.806 -2.615 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 7.709 -4.225 0.679 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 -0.008 -32.189 5.231 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 5.497 5.291 10.926 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 -3.422 2.097 -4.270 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 3.160 7.080 -0.554 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 1.594 -42.205 -2.784 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 -3.617 7.707 -3.815 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 7.447 10.371 -6.978 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 -7.509 9.984 -20.607 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 -4.172 3.928 7.222 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 31.343 -4.593 24.927 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 -2.647 17.830 0.788 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 -6.964 0.931 -8.032 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 -14.505 6.221 8.838 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 -21.284 -7.294 3.278 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 -4.324 2.380 -2.114 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 -1.442 -1.570 -7.078 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 -8.959 11.230 5.559 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 -4.179 -6.440 -2.499 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 -0.304 -1.009 0.219 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 1.718 4.051 4.353 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 -1.005 7.065 3.058 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 -1.149 7.098 2.467 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 -1.580 6.752 2.628 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 -1.542 -5.197 3.368 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 12.319 -7.135 6.082 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 5.914 -7.583 1.332 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 2.447 0.364 1.781 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 8.648 -28.987 -2.482 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 1.744 0.865 -4.295 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 3.246 -5.001 -4.170 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 -11.185 -2.489 -13.424 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 6.432 -21.118 -4.582 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 5.762 3.111 -6.946 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 7.346 25.297 -16.899 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 6.132 17.138 -11.983 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 3.262 -5.037 -4.952 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 -8.386 -2.311 -4.282 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 0.785 2.686 0.928 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 1.638 -3.135 1.976 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 6.922 -3.886 10.039 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 5.783 -3.689 3.603 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 1.074 -0.145 2.942 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 -22.692 5.936 4.517 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 -10.658 10.398 -9.459 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 3.303 -2.481 2.353 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 -7.387 11.064 -1.097 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 -17.346 -12.065 -5.901 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 7.334 1.986 -2.701 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 2.858 5.710 -3.395 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 4.639 8.713 -2.604 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 -3.234 -0.521 -2.274 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 16.676 4.839 8.556 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 4.931 -5.448 9.179 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 1.454 -3.621 -1.677 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 2.931 1.139 -3.030 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 2.228 -4.269 -5.203 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 0.375 5.501 -7.616 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 -25.600 -21.313 12.040 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 -5.334 0.196 -3.328 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 -1.911 3.058 -4.992 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 -11.732 10.598 20.967 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 0.483 7.322 12.161 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 -2.912 -1.103 -3.359 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 9.807 6.207 -7.560 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 -6.291 -2.685 -0.225 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 0.468 -0.375 -2.186 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 19.352 15.608 -17.570 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 8.887 -5.347 -19.189 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 -0.730 0.494 -5.109 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 -23.808 16.550 -13.183 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 -1.626 1.729 -2.326 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 1.642 -6.059 2.478 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 16.464 6.089 5.973 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 -0.893 -1.267 12.451 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 2.711 1.364 -1.944 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 -0.927 -0.239 -1.178 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 -2.949 0.977 -3.928 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 6.879 2.199 6.556 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 -11.148 -1.272 11.427 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 6.528 -5.199 -12.436 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 4.840 3.392 -4.023 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 5.725 4.110 -8.545 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 3.778 6.986 -6.542 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 -1.389 -1.957 1.048 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 12.877 4.076 -4.095 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 1.096 -3.831 5.318 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 -6.550 -3.457 0.193 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 -8.172 -23.512 -5.901 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 7.011 -6.212 9.155 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 -12.646 -0.060 1.972 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 -10.565 5.284 24.819 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 -34.338 -17.629 -1.508 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 0.853 -5.036 3.279 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 2.701 -7.194 2.669 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 -14.773 16.099 -17.421 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 -1.391 -4.720 -11.682 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 5.620 -27.732 -3.649 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 5.471 13.356 16.065 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 4.498 -0.801 -4.521 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 1.368 12.325 3.973 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 -3.054 -10.017 -23.592 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 1.800 -4.086 5.399 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 -4.946 -4.073 16.374 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 -2.864 -4.177 13.088 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 -3.200 5.372 1.267 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 24.741 -10.550 -4.987 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 13.831 4.847 -21.155 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 -10.021 4.057 -5.507 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 -1.708 6.561 8.788 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 -11.289 -28.508 10.470 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 4.085 0.821 -1.456 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 15.399 -2.860 -10.375 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 10.599 10.719 7.369 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 -1.968 -2.360 1.839 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 -0.992 -10.180 9.437 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 4.733 -5.016 -9.276 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 -1.920 -3.499 7.941 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 -4.479 -13.475 2.922 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 14.821 -1.371 9.747 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 0.282 -3.618 3.905 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 -2.365 -11.817 0.529 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 -0.836 2.200 1.477 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 -7.038 -2.927 -3.016 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 21.946 0.047 -8.300 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 -13.968 11.631 -2.346 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 -0.575 3.352 -1.172 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 2.637 4.769 2.627 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 -2.975 11.113 -4.235 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 -4.398 -4.290 5.092 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 -3.925 -0.453 -16.903 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 -6.704 -11.583 25.758 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 -0.738 -3.679 3.532 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 4.550 -10.365 -0.905 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 6.237 -2.032 -9.804 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 1.516 -8.489 0.231 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 -4.964 -10.436 -0.758 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 -5.803 -1.957 -2.790 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 -3.167 6.368 -4.410 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 13.951 -17.086 2.640 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 -0.249 1.202 -4.724 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 1.153 0.862 0.306 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 -1.524 1.677 -5.923 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 -5.457 0.447 17.605 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 4.773 -0.589 -5.015 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 -6.973 8.479 -6.696 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 9.394 -12.590 5.362 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 -1.002 -0.770 2.186 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 4.881 5.435 3.048 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 -7.243 4.839 4.393 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 7.554 2.924 -3.468 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 -7.639 -20.227 13.746 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 -7.498 -17.964 7.456 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 8.625 0.514 2.936 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 5.870 8.438 17.964 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 -3.828 4.442 -14.936 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 2.406 -4.640 8.924 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 27.744 10.265 10.114 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 -5.161 3.221 20.855 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 1.824 -4.897 -0.291 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 15.183 2.382 9.855 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 -0.694 -6.545 -9.660 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 1.110 0.031 -9.370 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 -40.559 -18.349 25.720 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 -7.665 -4.568 -6.933 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 1.408 1.741 0.093 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 -13.383 -3.888 -2.211 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 -10.538 9.164 -22.673 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 -1.546 5.641 6.244 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 -9.251 19.587 4.536 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 -1.255 6.854 -1.498 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 -0.537 -1.356 -4.541 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 -7.625 -3.876 0.692 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 8.056 -1.197 -2.584 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 -0.233 -3.411 2.268 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 -11.170 -4.840 11.811 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 -8.382 2.199 0.113 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 -2.126 -1.924 -4.992 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 -1.978 -5.033 12.470 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 -14.257 -23.607 8.769 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 7.619 2.568 2.482 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 -27.499 12.160 -6.443 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 3.705 -4.782 19.344 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 -3.884 0.005 -2.623 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 -7.023 10.178 -0.504 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 -2.211 4.065 -1.837 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 0.572 0.932 -0.837 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 11.470 2.380 14.404 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 -3.664 20.579 -5.540 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 7.715 1.909 -4.430 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 -3.791 1.773 -3.036 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 0.142 13.036 -19.333 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 -6.226 -5.191 0.585 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 0.658 6.895 -11.118 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 -7.846 -15.988 3.621 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 8.365 -0.554 -2.958 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 17.206 11.036 -0.923 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 1.252 -10.069 -5.233 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 -2.510 6.800 -0.279 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 3.080 4.753 -17.560 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 2.540 0.446 6.191 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 -3.600 4.478 -7.046 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 13.385 7.120 -16.998 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 -12.819 5.889 -8.498 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 4.357 2.280 -5.667 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 6.376 0.709 -6.581 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 6.778 -2.497 -6.873 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 8.382 -1.526 -2.288 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 15.373 -10.204 -8.752 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 -12.174 7.653 11.644 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 -2.809 0.397 0.798 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 -4.514 -6.162 12.948 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 -16.252 2.690 -1.407 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 -2.453 9.436 -2.672 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 -17.051 4.804 -27.694 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 1.685 10.679 -2.883 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 -3.984 6.686 3.530 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 -29.154 10.440 -2.663 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 -16.142 11.984 -1.892 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 2.977 -9.630 -0.883 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 24.866 10.092 -11.572 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 0.288 -13.834 -12.983 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 5.348 0.266 1.572 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 -4.521 -2.903 -5.848 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 5.733 6.584 26.694 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 4.741 2.190 4.615 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 -0.628 -4.540 -14.648 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 1.894 0.606 12.451 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 4.838 5.514 -1.639 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 -8.624 3.596 15.010 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 -4.177 -1.578 -17.767 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 3.195 -6.420 -3.026 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 -14.209 9.677 -17.937 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 1.725 -7.653 -1.668 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 0.435 6.480 2.832 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 0.663 -1.495 5.011 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 2.216 4.032 -3.372 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 -4.386 0.867 -5.585 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 -3.668 -1.699 -7.313 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 -0.572 1.417 -6.347 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 -0.570 2.310 -4.012 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 -1.057 12.916 -5.617 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 -1.108 8.734 -5.188 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 -1.030 2.677 -5.028 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 0.362 -22.843 8.962 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 34.724 0.796 -12.877 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 1.529 -4.128 4.100 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 2.779 -0.533 -0.217 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 -2.516 -8.258 7.664 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 -4.387 2.729 3.834 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 1.589 -5.652 2.884 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 -5.618 -3.714 7.428 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 -5.915 -4.228 -0.285 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 -9.420 2.015 -3.488 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 -7.574 -7.494 -2.930 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 -4.086 -0.563 -3.230 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 3.446 24.577 -0.080 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 1.608 33.722 -0.677 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 -0.515 1.937 -2.079 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 -5.705 7.034 -3.544 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 -4.445 0.057 -6.943 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 1.407 -3.434 -0.197 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 1.097 -11.230 -3.090 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 -17.284 -5.638 -6.482 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 -7.279 2.133 10.473 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 -23.015 20.863 2.333 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 -2.516 -4.022 12.632 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 -2.134 5.118 -3.158 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 -18.922 -11.426 9.025 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 -3.424 3.848 -1.903 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 1.821 1.328 1.893 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 0.946 -18.912 27.942 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 -18.322 1.831 15.657 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 -2.758 -0.136 -7.311 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 4.748 2.459 -11.215 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 19.526 -0.729 -3.259 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 7.625 -3.577 0.638 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 -44.827 1.073 2.230 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 -4.051 -7.831 1.393 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 6.681 6.384 7.148 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 16.063 13.547 11.369 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 -6.275 -13.941 -2.521 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 0.262 -4.228 2.197 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 -18.440 -30.439 8.948 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 12.992 14.545 -4.184 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 -3.852 -5.817 0.719 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 6.034 10.329 -31.454 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 12.070 12.845 19.556 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 2.983 0.501 -0.541 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 4.776 -15.791 16.730 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 -5.933 -11.620 -32.316 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 1.212 9.360 -5.527 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 3.124 14.460 0.158 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 -0.900 2.898 -0.498 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 -8.952 6.557 -3.011 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 -5.092 14.984 0.565 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 32.504 24.401 -5.737 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 1.154 -2.537 -2.781 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 -4.317 -6.181 -6.939 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 10.370 6.655 -11.315 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 -7.471 0.814 3.097 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 -4.872 0.676 23.367 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 2.718 8.189 1.921 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 -5.408 -6.544 4.720 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 -17.945 -7.119 13.616 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 -3.166 8.952 0.179 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 -0.231 -0.977 5.158 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 -7.207 -8.467 4.099 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 -4.548 1.984 15.669 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 -0.972 -3.517 0.867 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 6.390 0.541 2.099 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 -2.443 -4.914 8.510 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 2.858 8.114 4.182 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 27.034 6.853 4.182 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 9.021 -15.340 10.075 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 -4.234 -3.446 0.258 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 -1.920 -0.191 -6.514 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 -16.392 -1.918 -28.537 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 -2.010 -1.709 -4.752 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 7.141 13.348 10.296 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 21.801 -13.963 3.973 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 5.226 5.759 2.488 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 -29.131 -34.164 -5.051 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 7.656 3.952 -0.801 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 -4.594 -1.811 3.128 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 -14.968 -3.328 -12.642 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 -5.316 -3.650 -8.854 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 -10.333 3.409 6.444 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 -12.835 1.321 18.347 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 4.710 1.812 6.976 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 -1.484 3.313 -1.040 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 -4.845 -3.903 -5.270 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 4.069 23.437 -0.444 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 -0.361 2.605 -3.704 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 4.616 -5.853 -25.853 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 -20.758 -24.277 16.945 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 -2.795 -5.839 1.943 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 -11.327 -33.935 -5.838 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 22.166 24.117 8.835 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 -13.946 0.790 2.911 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 7.545 4.727 -0.668 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 2.486 2.748 4.865 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 -3.124 -3.005 2.109 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 -4.997 -2.533 10.734 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 10.392 -25.522 4.777 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 4.277 -0.195 1.260 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 1.842 5.516 3.848 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 3.643 -0.280 1.098 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 -3.117 6.921 7.959 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 -8.256 25.945 25.433 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 -4.356 2.327 -17.191 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 -1.886 -2.235 0.258 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 -2.698 -0.932 -17.457 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 1.433 -8.767 1.718 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 -2.246 -2.730 4.975 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 6.778 -13.920 36.536 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 20.186 -4.157 24.599 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 -1.563 1.936 -7.668 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 -1.106 8.928 23.494 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 -12.173 4.242 -7.933 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 -0.620 7.875 -4.260 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 -18.588 15.300 -17.820 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 15.910 1.699 8.423 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 -0.313 1.370 1.080 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 -14.202 -7.744 0.597 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 -5.333 -15.681 6.662 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 8.837 2.487 -4.749 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 20.918 8.166 -38.843 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 10.066 -2.027 -17.568 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 -2.746 0.919 5.307 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 6.504 -12.353 -11.594 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 23.818 2.377 0.988 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 2.814 -3.940 6.668 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 -7.179 2.351 -4.556 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 27.961 17.149 -6.899 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 -4.426 4.099 -5.575 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 -19.548 -0.574 -19.233 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 -22.695 -6.473 -22.399 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 4.478 1.786 1.945 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 9.684 20.306 -6.672 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 -18.097 1.691 -4.688 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 -3.193 -0.939 4.971 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 4.346 3.910 12.998 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 -11.879 -7.795 10.585 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 -1.987 4.747 -7.816 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 13.213 13.082 -23.361 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 -20.833 8.539 0.510 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 -0.703 4.208 7.184 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 6.729 -0.701 17.698 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 -11.399 -4.564 6.931 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 -1.504 0.633 -2.417 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 1.038 1.648 15.013 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 -2.894 5.493 -22.926 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 -9.890 -2.055 -4.732 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 -23.282 4.627 -10.713 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 8.469 -6.636 7.693 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 3.918 -0.797 0.492 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 -2.798 -4.925 0.476 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 -10.711 -7.685 4.577 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 -7.538 -2.759 2.918 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 1.095 -15.321 23.652 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 13.525 -7.337 16.651 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 -0.412 7.392 8.388 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 -6.808 5.208 8.400 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 4.793 14.116 9.948 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 4.330 -3.371 3.347 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 -2.622 14.545 14.216 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 -3.803 -22.193 8.946 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 -1.439 -5.014 -3.304 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 2.876 19.502 -8.712 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 -23.184 -7.059 7.967 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 -2.810 1.798 -9.405 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 -6.535 7.899 -12.193 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 3.609 -11.656 -5.729 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 4.200 6.547 -2.607 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 -4.081 2.061 -8.358 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 10.011 -2.562 8.116 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 0.443 7.954 4.482 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 -4.995 8.186 6.508 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 5.558 12.005 5.053 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 4.263 -1.834 5.344 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 -9.480 -14.617 -0.310 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 6.279 8.576 17.320 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 3.567 -1.789 0.175 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 7.194 -9.704 9.770 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 -1.822 -1.956 -6.742 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 7.602 1.837 1.749 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 11.457 2.450 -0.897 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 13.431 4.517 -0.570 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 -10.856 -1.250 -5.004 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 20.864 21.636 -10.428 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 13.656 25.500 13.977 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 7.228 0.128 0.576 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 11.092 5.959 -11.302 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 15.202 -4.975 11.827 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 -3.070 0.619 1.768 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 -14.096 6.848 7.281 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 0.189 -2.415 -2.016 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 -5.155 0.671 -0.279 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 -0.018 -6.798 5.585 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 3.487 -8.676 9.883 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 -2.936 -5.373 4.110 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 -30.106 10.046 -3.135 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 20.463 -18.841 8.444 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 -3.137 -2.482 1.738 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 -29.965 4.466 -31.018 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 8.360 4.085 -2.310 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 -0.532 -0.948 -1.875 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 -4.526 0.081 14.389 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 13.090 24.619 19.613 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 1.006 3.133 1.399 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 22.269 -16.296 2.551 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 13.266 19.025 6.993 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 0.944 -1.034 -10.405 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 1.195 5.115 -5.667 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 13.481 -13.506 -16.014 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 1.262 -6.086 8.830 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 -1.425 12.219 -7.445 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 -5.630 -3.941 15.357 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 -4.132 -3.072 1.181 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 -4.257 -3.149 1.256 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 -4.019 -3.596 18.226 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 7.856 -2.865 -4.189 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 -4.240 -12.017 7.433 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 -1.450 -13.829 18.222 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 -1.055 7.252 2.332 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 1.660 23.683 -12.783 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 22.816 18.350 -13.611 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 -8.162 4.829 -0.250 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 -9.416 -7.900 -16.588 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 -4.664 -19.531 -27.408 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 1.194 -1.882 4.272 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 -23.469 9.906 19.869 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 3.479 -15.161 -2.766 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 2.704 1.058 -1.974 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 27.735 -3.641 -2.174 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 -3.826 -5.205 19.625 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 -2.653 2.312 -1.039 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 -15.313 0.274 -3.866 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 13.853 8.451 6.073 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 2.758 -4.003 -4.357 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 5.895 -2.716 -5.653 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 -14.274 -13.638 -9.481 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 -2.390 -2.489 2.110 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 8.187 -15.090 10.761 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 -5.181 3.189 18.905 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 6.698 -3.953 2.925 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 12.205 -21.586 -12.197 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 -18.433 -3.442 -1.137 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 1.256 -0.791 0.577 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 -4.761 1.078 5.162 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 -15.939 5.028 14.928 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 -1.317 -7.434 -3.208 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 12.437 -13.424 -1.219 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 -10.140 -4.083 -4.400 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 9.926 1.606 0.933 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 -4.897 -3.047 -8.662 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 23.609 10.023 -8.165 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 -2.397 2.449 6.831 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 2.280 -6.545 4.581 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 5.030 -7.810 24.335 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 5.186 -1.106 2.421 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 8.291 -11.692 0.900 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 1.821 3.582 13.382 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 1.540 4.399 -4.900 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 7.852 -3.714 20.185 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 -1.104 -7.475 -13.844 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 -0.355 6.610 -2.792 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 0.764 15.167 -12.435 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 -14.498 9.778 18.352 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 7.305 -2.624 -0.517 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 10.583 -7.978 -3.351 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 9.799 0.018 2.317 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 3.019 -2.996 4.448 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 -8.444 -11.596 2.937 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 -32.519 -31.184 22.241 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 -5.207 3.159 0.161 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 17.079 -4.985 -15.687 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 -17.740 -22.599 3.207 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 1.453 -7.080 -3.639 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 -1.966 -4.317 -30.828 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 23.854 5.914 4.722 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 3.916 -1.875 0.200 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 -7.657 -4.074 -8.909 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 12.374 3.252 -9.675 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 3.216 3.376 4.553 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 -1.126 16.349 2.648 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 5.924 11.302 12.356 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 2.508 -1.706 2.013 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 -20.520 -3.805 4.220 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 8.127 20.361 2.783 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 6.244 -3.639 -3.734 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 12.101 3.118 -1.320 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 5.313 -5.372 -13.889 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 0.735 -1.134 6.843 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 -12.770 -24.425 11.162 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 -0.999 -4.108 -19.413 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 -0.618 -7.544 4.306 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 3.054 6.989 12.993 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 15.256 -14.795 1.115 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 -9.246 -4.716 -6.298 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 -9.349 -3.068 -6.230 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 -11.078 -9.446 -11.086 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 -3.968 -9.423 -1.215 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 12.219 -3.984 2.600 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 5.485 -12.436 -4.874 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 -4.265 -0.532 -6.190 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 -7.503 -0.463 10.811 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 -8.001 -0.362 16.525 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 -5.246 -9.342 -3.726 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 -4.500 -8.434 7.725 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 -2.423 -10.870 -11.005 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 -4.074 2.728 2.474 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 -0.763 -0.937 -1.868 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 -3.559 1.872 1.874 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 1.898 -2.484 -1.648 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 1.126 0.950 5.690 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 -0.094 -8.733 -4.245 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 4.817 1.493 5.015 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 0.260 31.273 13.936 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 -7.491 -6.649 10.385 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 -1.393 3.226 2.588 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 13.227 9.345 -8.260 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 18.673 17.768 -14.066 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 5.073 1.303 3.323 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 2.141 -6.887 13.588 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 7.239 -3.175 -9.928 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 -3.027 1.176 3.218 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 15.205 -21.602 -21.341 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 -19.951 23.358 6.142 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 6.383 5.216 2.957 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 -27.274 22.577 -14.884 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 -3.849 5.093 -11.651 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 2.046 1.127 1.777 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 16.713 12.640 -4.490 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 2.844 2.588 -7.204 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 -0.673 -1.263 -5.407 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 -10.637 6.213 2.683 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 3.570 -23.520 -12.329 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 -4.870 -2.452 -5.032 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 -1.339 0.864 -1.534 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 -16.196 -0.249 4.062 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 -2.523 -0.555 -4.071 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 -1.993 0.203 5.154 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 -22.783 -3.014 8.496 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 1.132 6.546 -0.476 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 10.777 10.197 -0.496 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 -2.961 -22.448 2.366 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 2.725 -0.016 -1.833 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 -3.501 3.854 -1.917 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 2.645 4.933 -3.169 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 -0.323 3.393 2.880 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 3.173 -2.245 -37.392 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 10.493 8.415 7.634 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 -0.677 -2.665 0.247 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 -4.604 -31.472 -21.400 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 1.541 -1.451 7.708 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 6.506 1.652 1.104 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 -0.330 -2.651 6.437 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 2.405 -0.976 7.502 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 4.872 -4.926 6.599 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 -3.144 1.378 4.279 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 1.173 15.160 8.243 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 -0.003 0.478 4.275 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 6.148 -21.017 -27.353 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 6.631 32.329 6.456 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 -2.668 -5.172 -9.531 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 6.641 -0.726 -15.237 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 -13.563 4.392 4.937 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 3.241 3.298 -6.357 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 22.536 9.505 -18.675 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 -11.520 -1.541 -0.308 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 -6.714 0.557 -1.401 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 19.162 -2.322 27.058 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 3.411 -6.659 -16.662 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 2.271 10.672 5.150 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 16.184 14.693 4.499 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 -1.225 38.526 -4.192 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 2.880 -1.056 -0.341 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 31.545 9.612 -12.706 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 20.119 1.341 -13.706 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 -4.801 1.190 0.446 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 5.430 1.495 -6.338 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 0.880 0.157 -0.503 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 5.255 2.150 -8.955 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 11.101 -1.890 -9.433 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 7.587 5.674 -7.029 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 -1.066 -1.198 2.103 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 -14.441 10.530 -14.513 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 -8.350 3.192 12.912 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 -7.390 0.535 -1.100 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 0.549 20.487 11.566 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 -14.144 -6.858 1.267 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 1.085 0.249 0.979 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 -22.278 2.738 -3.343 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 -5.829 -25.678 5.040 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 4.645 2.024 4.752 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 -5.560 12.328 1.928 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 19.425 14.422 -11.890 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 1.972 2.343 0.443 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 9.657 -2.482 11.588 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 -3.616 4.662 -13.944 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 -4.824 3.074 -1.989 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 15.557 -17.599 -9.875 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 -8.698 4.779 10.713 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 4.937 0.663 -4.997 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 -4.793 20.857 -10.470 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 8.894 -25.069 11.166 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 -5.339 -1.859 -1.377 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 -23.897 -13.068 13.828 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 -1.302 0.578 -4.802 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 -5.182 1.382 2.503 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 -6.430 -0.746 4.709 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 20.545 -8.337 -1.649 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 1.783 -1.249 5.422 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 -6.710 2.043 7.253 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 7.476 -1.629 24.273 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 6.895 2.552 -2.916 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 9.864 1.217 -5.778 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 24.250 -4.898 -21.216 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 -2.355 7.760 2.897 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 7.255 -30.851 -9.808 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 0.230 -4.708 -1.982 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 -4.507 2.495 -3.464 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 -0.762 10.476 -4.193 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 -18.860 4.049 -17.841 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 5.718 -5.229 1.677 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 11.290 -25.535 13.711 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 -1.273 19.107 -13.693 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 -2.112 0.064 -2.094 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 -4.829 -32.635 -5.354 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 -12.141 15.469 1.183 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 -9.889 0.664 2.124 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 -2.329 -7.944 -4.838 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 -21.100 6.681 2.674 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 -0.750 5.555 -1.845 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 2.566 -3.383 9.454 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 0.707 -8.310 -14.837 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 0.356 -0.943 -0.156 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 -8.477 8.820 -3.361 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 -4.954 3.675 -0.933 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 4.378 4.414 1.076 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 3.773 16.829 -0.155 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 4.948 -22.326 2.844 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 0.890 -0.711 0.503 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 -4.440 9.543 22.709 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 -3.256 -15.408 -13.543 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 -1.132 1.504 4.148 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 -14.357 -2.645 17.108 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 -19.222 14.462 19.262 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 2.220 -0.228 -1.009 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 -13.012 8.841 -3.526 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 10.436 3.071 -13.711 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 -1.874 6.617 7.140 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 -11.586 4.590 2.048 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 -28.410 5.929 -1.487 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 8.461 -1.904 -4.539 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 8.424 4.762 17.895 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 5.498 -12.662 -14.358 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 -11.238 3.456 5.723 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 2.971 -6.328 -28.292 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 -6.773 0.059 -5.752 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 -7.566 3.671 4.017 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 -12.398 14.754 -7.660 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 -12.734 2.935 4.404 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 -2.612 1.001 -0.784 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 -2.366 20.483 -16.297 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 -10.183 -24.427 15.120 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 1.385 -3.174 -2.574 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 -1.513 -3.980 -11.437 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 9.939 -2.647 -2.798 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 1.029 -2.958 -3.646 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 -9.055 6.335 -4.631 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 9.732 -3.938 21.992 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 1.513 3.366 4.151 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 -1.874 -3.831 -2.580 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 -3.768 6.846 -1.597 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 6.275 -0.937 3.548 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 7.212 -1.289 6.649 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 -7.912 -10.134 4.014 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 1.698 -4.659 -0.623 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 14.047 -14.697 -1.640 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 -3.787 10.145 4.062 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 -0.760 0.225 6.243 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 5.753 -0.588 -0.479 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 -7.383 1.738 6.070 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 -3.568 2.312 -0.292 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 -8.951 3.585 -10.119 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 -22.614 34.520 14.865 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 4.718 2.079 0.052 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 -8.243 -10.506 -14.841 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 -7.600 10.954 16.070 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 0.090 1.821 2.759 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 -9.381 -3.440 -12.560 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 5.859 19.598 25.126 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 1.753 4.854 -5.694 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 -13.388 7.976 3.480 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 4.266 8.106 -5.569 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 -4.481 0.242 -2.002 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 1.569 5.705 -5.001 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 -1.339 -13.111 4.793 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 1.016 1.708 -1.835 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 43.541 27.516 10.299 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 18.911 15.089 -0.641 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 1.638 3.392 -2.196 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 -4.848 -1.253 0.986 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 7.065 -26.558 11.244 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 -5.375 -4.863 3.143 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 -0.545 -20.458 24.061 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 -33.179 6.798 -2.804 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 0.523 3.373 2.561 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 2.191 4.495 1.475 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 -1.996 3.475 3.322 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 0.990 4.399 0.540 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 1.944 -20.346 9.628 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 -6.440 -9.604 -6.070 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 -1.712 -3.550 -3.206 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 11.631 -8.988 -6.983 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 -8.528 5.364 -4.292 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 -1.793 2.573 -4.089 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 -6.863 2.170 -0.302 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 -1.999 7.622 -15.455 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 0.080 -2.533 -4.013 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 -5.388 -4.121 -14.610 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 5.438 -16.971 -9.027 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 -1.287 -0.057 2.275 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 9.276 -2.087 8.928 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 11.861 -8.888 6.745 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 -0.771 4.639 0.440 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 19.752 6.230 -3.993 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 3.325 6.818 9.570 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 -6.619 2.647 -0.991 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 -1.455 11.043 -0.368 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 -4.959 2.160 6.656 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 -1.216 -3.748 -0.503 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 -18.769 21.817 -21.109 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 0.334 -12.216 30.756 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 5.593 0.009 9.081 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 -7.735 5.060 -1.962 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 -15.117 -5.088 1.139 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 -0.180 -0.597 -4.022 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 3.412 -8.524 -21.350 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 0.324 -7.410 -2.198 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 0.570 4.553 2.663 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 -24.401 0.459 10.754 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 -7.216 4.632 0.206 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 -2.873 -1.577 -1.687 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 16.008 -14.890 -2.154 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 -30.711 -1.276 7.470 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 -3.473 -2.719 2.922 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 -3.406 -33.555 -2.770 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 26.267 4.628 6.429 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 1.641 1.286 -1.921 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 12.958 -1.965 -19.380 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 -1.474 1.690 0.420 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 -2.370 1.004 -3.873 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 -1.098 6.657 -6.440 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 -8.379 -2.813 -17.687 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 5.379 -1.031 2.846 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 9.972 -2.588 6.277 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 -17.303 1.293 -15.477 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 -2.208 2.274 -1.933 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 1.854 8.224 -2.937 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 -14.152 -16.571 1.435 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 -2.318 -1.829 -0.153 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 -18.065 14.348 -13.777 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 -17.258 -17.056 0.682 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 -1.492 0.666 -8.808 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 -1.172 4.857 31.377 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 -6.796 6.698 -16.042 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 -0.282 -0.616 4.956 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 0.313 1.433 15.612 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 9.433 -2.743 24.693 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 -2.771 -6.008 11.677 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 -14.130 8.168 -9.290 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 -16.892 0.565 3.167 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 -0.170 0.689 1.504 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 -9.290 9.155 0.056 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 9.720 0.236 5.641 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 -0.696 -2.306 -0.610 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 0.668 9.971 3.122 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 -6.641 -4.898 8.873 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 -10.186 3.389 4.528 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 -5.424 -13.624 -4.279 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 -18.733 -2.640 4.928 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 -3.827 0.665 3.229 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 -1.130 -0.042 17.965 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 0.874 -1.851 20.470 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 2.102 0.594 1.116 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 12.189 -7.250 -12.142 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 5.882 -12.308 4.344 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 3.739 0.680 1.793 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 -4.971 -1.714 6.296 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 -12.355 7.595 -6.392 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 -1.192 -1.308 10.439 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 21.799 15.900 12.368 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 24.499 -34.889 15.008 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 8.058 3.206 -3.812 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 6.405 11.420 -9.902 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 4.085 1.623 1.868 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 -6.978 -7.453 5.648 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 20.374 -28.691 -0.308 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 -0.926 -12.777 4.130 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 -0.227 -1.092 0.941 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 -17.747 -3.024 -19.284 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 -0.586 -21.928 14.460 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 -1.787 1.432 -8.340 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 -14.199 -4.673 -22.752 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 8.171 -2.180 -0.386 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 2.425 5.430 1.357 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 -11.663 11.224 9.678 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 0.815 21.594 3.056 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 -1.759 -1.386 3.878 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 -5.920 -7.761 19.278 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 17.089 -18.196 -17.565 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 -1.981 -2.013 -4.152 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 7.260 5.119 -1.967 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 -1.333 -0.934 -13.121 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 0.967 -4.579 -4.134 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 16.361 17.518 -1.863 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 2.510 -16.822 -7.726 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 -4.781 -6.774 2.322 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 4.382 -0.285 6.446 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 -0.403 -10.162 -9.677 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 1.626 1.393 10.653 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 13.076 15.457 -11.452 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 -5.139 28.856 7.946 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 -0.953 3.252 2.493 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 2.031 -0.043 -2.975 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 24.543 -17.496 -20.673 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 4.319 -0.680 1.619 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 6.330 2.636 6.094 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 17.066 -25.133 25.970 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 5.724 -0.855 8.202 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 14.868 -20.834 5.436 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 -0.238 -0.985 -1.891 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 1.115 -7.244 0.032 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 -1.955 -3.068 3.890 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 -11.517 -2.136 3.959 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 4.575 5.562 -1.742 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 -4.638 10.607 12.045 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 6.733 5.015 -4.448 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 5.209 2.554 1.727 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 14.528 -0.032 -11.095 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 21.802 8.452 -16.710 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 0.404 0.857 -3.274 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 -1.421 1.528 -7.618 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 -5.911 21.332 -16.781 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 -0.872 2.081 8.008 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 -5.567 -4.299 16.575 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 -4.318 -2.300 14.607 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 1.602 0.491 5.668 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 -15.245 17.242 2.578 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 6.195 -15.159 3.804 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 7.086 -1.654 5.106 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 23.025 -36.160 7.545 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 -24.172 -15.613 8.195 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 -1.097 -4.064 -7.718 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 -17.566 24.312 -12.709 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 -2.877 -17.129 2.093 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 -3.323 -0.110 -0.190 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 2.691 -17.262 18.739 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 10.796 22.464 -2.830 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 0.389 -0.921 -2.177 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 12.601 -8.422 10.798 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 6.365 -8.100 4.477 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 5.873 -1.310 -2.649 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 0.946 -11.684 -10.349 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 2.223 -6.281 -6.732 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 7.415 4.150 0.449 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 19.626 18.146 -9.961 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 15.194 -6.100 -1.168 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 2.080 4.841 6.176 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 -20.398 14.347 -7.000 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 -0.404 -0.378 9.085 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 -6.423 4.540 0.892 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 -18.504 10.478 13.159 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 2.267 -22.463 31.915 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 -3.708 0.182 0.250 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 -0.824 -12.339 -1.101 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 -0.287 -9.517 13.036 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 1.828 1.157 -2.584 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 7.996 -21.995 21.404 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 2.756 11.918 -4.832 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 -0.209 -2.750 -7.178 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 -9.363 11.715 1.319 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 1.037 -9.580 15.846 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 4.598 4.787 -0.293 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 17.966 -3.055 18.985 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 5.730 29.201 9.233 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 -0.731 7.106 6.339 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 0.108 13.703 14.121 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 9.204 2.640 5.423 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 -4.840 4.359 -0.606 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 -16.266 15.036 -10.725 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 -3.154 -6.571 19.967 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 7.884 -2.095 -5.499 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 -24.305 -18.200 -22.873 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 -0.171 -5.875 -10.769 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 2.925 -0.445 -1.383 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 2.843 -25.555 13.448 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 6.691 24.856 -15.907 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 1.432 2.568 0.527 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 -17.400 6.859 23.173 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 5.787 6.077 -19.044 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 0.671 1.623 2.219 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 21.793 -18.009 22.876 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 -17.265 -13.963 4.533 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 3.908 -1.312 0.464 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 -1.812 -5.630 1.152 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 -8.146 -5.881 6.320 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 1.056 5.711 3.580 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 -27.482 9.276 -6.179 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 -7.212 9.190 -17.454 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 2.611 8.271 1.572 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 -7.627 2.878 9.258 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 1.186 18.736 5.433 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 -5.115 4.008 5.091 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 5.534 -12.142 8.705 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 7.827 8.549 9.300 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 -4.122 2.549 4.817 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 6.188 -1.464 2.372 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 -7.476 -2.253 7.360 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 0.485 3.764 7.063 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 5.394 -16.120 -11.525 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 22.824 2.462 24.141 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 -2.426 0.789 -3.992 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 19.325 -16.108 3.085 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 -28.436 -3.212 -10.878 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 3.548 0.002 -0.017 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 12.880 3.344 12.840 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 1.575 0.808 20.433 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 -6.327 -3.914 4.151 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 -24.318 10.522 -0.336 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 12.733 -9.494 9.382 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 8.934 2.174 1.233 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 5.620 -3.528 5.882 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 11.115 10.859 16.690 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 2.107 0.084 -3.298 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 24.140 15.765 -4.201 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 -5.792 -6.956 11.023 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 -8.594 7.045 1.163 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 10.753 1.112 5.831 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 2.328 -1.977 -13.218 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 -3.159 -1.460 -4.935 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 6.609 -9.920 -22.920 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 -27.464 -24.096 10.409 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 2.334 0.437 1.717 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 8.744 -20.635 3.724 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 -33.609 1.223 -19.361 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 2.333 1.485 -2.045 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 -3.777 16.124 -2.607 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 1.666 -3.042 -3.841 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 2.765 0.465 -3.026 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 2.285 11.035 0.272 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 1.646 -3.005 -4.669 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 0.154 -8.841 0.757 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 6.349 -9.933 -12.655 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 11.263 -9.887 4.664 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 -0.355 7.301 -5.678 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 1.779 10.220 4.875 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 7.345 13.336 -12.692 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 2.132 -2.039 3.930 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 11.564 2.939 3.409 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 -0.823 -8.920 15.736 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 9.270 1.429 -1.973 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 3.144 -0.819 -13.315 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 16.054 -11.597 -11.727 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 -5.187 1.172 -2.941 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 5.870 19.041 21.043 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 -35.650 -3.369 4.427 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 5.978 5.513 -0.915 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 -3.618 -0.852 -10.507 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 -18.595 -0.390 14.767 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 -2.733 5.304 4.991 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 -3.044 4.350 11.004 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 -19.756 8.399 2.009 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 0.202 2.226 -0.839 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 0.573 1.356 11.420 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 -10.278 -1.934 -5.071 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 -2.660 2.897 -4.975 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 -15.372 -20.260 4.104 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 29.578 -3.447 5.482 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 5.042 2.362 -6.082 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 -9.902 -11.370 -24.926 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 5.262 9.785 13.052 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 2.228 -3.213 0.231 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 7.016 11.775 0.952 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 -13.309 -8.577 11.613 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 8.013 -1.281 -0.031 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 16.144 -1.397 4.745 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 9.981 5.624 -5.568 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 -5.234 -2.706 -2.530 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 -3.412 8.174 -23.697 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 12.031 -9.622 -0.618 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 -0.996 2.695 -5.056 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 -6.337 -0.197 -10.069 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 -10.936 -3.140 -14.128 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 -1.985 -2.228 3.568 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 -0.488 -5.810 7.527 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 7.264 -2.337 9.087 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 -4.368 -3.216 0.886 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 -4.761 -2.801 6.457 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 4.919 -3.376 -4.606 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 -3.211 1.366 -1.771 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 11.576 3.832 -0.155 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 10.865 -1.001 1.918 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 0.063 -3.041 1.755 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 26.128 -10.788 11.524 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 -0.589 0.290 -7.415 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 2.070 -0.979 -3.295 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 -18.879 10.169 -12.425 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 -12.223 5.725 -9.326 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 -5.756 3.336 -8.826 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 -14.919 14.674 -8.200 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 -4.555 -1.322 -10.854 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 0.196 5.170 2.577 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 -4.916 0.162 -10.966 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 7.622 -5.905 7.891 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 1.920 -4.321 -1.673 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 16.293 4.068 -10.497 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 8.121 -26.728 6.716 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 -0.483 0.029 -2.704 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 -3.682 9.437 -10.728 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 -16.242 -15.115 -16.809 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 3.174 -3.509 0.976 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 -2.751 -20.094 19.221 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 10.806 7.275 16.920 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 -6.855 0.574 4.027 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 16.498 14.786 16.451 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 -6.286 -0.815 1.902 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 -1.805 -2.466 0.227 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 -11.811 -2.807 6.821 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 -8.655 10.354 -19.898 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 -6.504 -1.090 -8.842 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 4.417 -0.966 3.324 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 24.052 -29.296 6.219 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 3.021 -1.025 1.379 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 4.048 -4.612 9.392 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 -10.114 -12.567 -6.411 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 2.340 -1.031 3.789 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 -2.317 10.544 -8.719 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 -0.269 3.386 -3.140 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 -2.203 2.344 3.479 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 17.933 15.729 -34.249 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 -17.052 -15.130 -13.116 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 3.066 -1.301 -4.871 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 -1.700 21.291 20.531 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 5.618 16.295 2.578 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 1.070 -1.358 -1.183 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 -5.540 15.820 -8.788 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 7.527 -12.476 -18.205 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 7.400 0.158 -1.835 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 1.050 10.477 19.400 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 11.116 -3.050 -12.983 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 -1.510 -0.406 0.327 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 13.968 8.256 -10.775 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 -1.780 12.100 24.711 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 -1.051 0.787 -1.609 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 25.382 -13.199 -12.066 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 5.816 7.774 28.336 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 0.111 0.685 -1.300 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 -0.238 -9.148 -2.235 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 -2.601 -23.012 -1.129 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 6.515 -2.075 2.979 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 2.901 8.689 -2.973 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 -0.790 8.644 -1.064 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 -2.033 -3.566 -2.958 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 3.154 9.879 0.662 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 -4.563 -7.689 -10.234 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 2.415 0.544 1.497 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 -4.560 0.940 -1.912 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 -10.758 4.462 -7.804 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 4.406 3.927 0.029 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 4.723 0.265 0.612 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 7.758 10.002 -2.578 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 -7.092 2.730 1.416 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 -9.556 4.970 -20.583 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 -6.455 -0.815 27.213 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 -1.581 0.457 -5.067 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 -10.506 -8.511 23.137 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 0.722 -30.920 -13.551 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 2.943 -5.910 4.345 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 -1.780 -4.458 -1.163 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 1.314 -10.575 34.880 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 -5.654 -3.211 0.492 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 -26.201 9.516 -1.738 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 10.065 20.626 -6.083 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 1.150 0.747 -2.306 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 -9.227 0.285 -16.077 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 -4.393 -2.613 3.995 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 -6.237 -1.310 1.114 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 -12.619 11.374 18.186 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 -1.554 0.251 -15.414 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 -8.579 -0.315 5.290 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 -1.546 -7.115 13.467 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 -11.057 -0.187 0.534 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 -0.964 -3.350 -1.226 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 -10.099 -2.644 4.231 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 7.366 -2.247 -0.336 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 -12.492 -0.746 6.041 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 -21.976 4.989 24.149 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 -28.444 5.197 -9.757 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 -0.016 -3.555 -1.758 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 -1.373 -5.097 -10.994 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 11.550 -6.396 -8.066 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 4.584 3.505 0.042 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 12.414 4.209 -23.547 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 18.123 -12.820 4.622 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 -1.685 -1.402 0.193 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 -5.264 6.536 21.403 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 -0.033 -5.921 -16.765 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 -3.036 -8.649 5.268 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 -21.038 3.304 -14.052 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 -4.342 -5.649 -5.560 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 -4.873 -1.358 -0.246 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 -11.814 -28.130 9.156 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 2.116 24.010 -6.757 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 -5.344 -4.112 2.633 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 15.534 -15.370 7.479 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 -23.283 -3.405 -6.221 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 0.814 9.017 -4.325 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 9.032 -11.234 -16.979 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 19.316 8.342 13.185 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 -2.148 -0.439 9.356 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 21.707 20.656 -28.963 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 -17.712 12.267 -10.550 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 0.148 4.574 2.030 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 -10.055 1.888 -27.901 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 -9.646 4.554 -26.648 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 -0.693 1.223 2.707 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 -26.192 2.398 -1.731 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 -7.835 -3.501 5.044 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 5.912 -1.849 7.311 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 -4.383 8.110 7.178 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 -5.966 -0.019 21.710 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 -3.252 -7.258 4.000 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 -1.109 9.778 -11.109 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 15.664 22.412 -0.728 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 4.164 -2.209 -5.557 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 -4.755 6.654 2.432 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 4.065 -3.762 9.882 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 -4.899 4.605 7.028 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 11.440 1.713 -5.104 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 -8.898 -8.761 16.472 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 0.417 0.961 -3.150 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 15.044 1.857 4.259 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 3.143 2.229 -0.184 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 -0.405 1.512 5.656 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 -3.064 15.712 -8.098 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 -3.822 19.499 -19.402 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 4.772 -2.940 5.057 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 -20.307 -8.700 6.843 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 5.137 23.204 -4.181 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 3.125 4.219 5.325 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 8.777 3.129 1.152 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 -15.840 15.503 18.489 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 -4.495 1.071 3.859 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 -6.807 -0.775 17.571 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 -3.576 2.359 -7.168 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 -1.151 -5.121 -4.290 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 -11.505 3.352 5.431 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 2.479 11.615 24.962 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 2.275 5.931 -0.744 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 1.541 11.115 5.317 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 -15.200 -10.215 -28.557 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 -2.090 -2.581 -0.520 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 20.486 16.382 11.508 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 -26.833 -0.606 18.437 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 3.704 -1.077 3.229 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 0.735 -0.931 -12.805 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 -10.712 -7.373 10.942 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 4.091 2.850 3.709 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 9.986 19.918 -6.614 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 -0.590 -16.143 12.942 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 -1.711 9.300 0.524 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 -18.604 15.246 0.307 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 27.532 -11.212 28.685 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 -6.073 -2.168 2.043 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 -3.214 -12.297 15.888 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 -9.382 10.432 -13.249 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 3.815 0.307 -4.203 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 -0.024 -4.682 -18.507 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 -12.739 -13.305 18.130 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 -0.846 10.415 -2.441 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 -6.579 20.016 9.441 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 -9.195 -1.955 6.989 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 -5.717 -1.902 -5.418 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 2.167 -12.662 -2.801 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 -25.185 10.076 -10.583 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 2.965 7.268 2.873 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 -17.454 -4.357 -4.730 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 -2.750 9.157 1.168 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 -1.826 -4.082 -2.767 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 -11.566 -6.214 4.852 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 4.512 -2.165 -7.116 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 -0.377 1.008 3.275 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 -4.620 6.216 8.514 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 12.099 -0.256 31.585 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 -2.213 -7.497 0.934 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 2.063 2.807 -3.652 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 -3.929 -23.474 -2.193 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 -1.778 -3.431 0.954 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 1.298 -5.665 1.167 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 -12.111 7.302 -3.909 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 -3.037 -6.042 0.196 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 -2.845 -17.624 4.595 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 -3.752 1.238 9.511 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 -5.147 1.608 -3.535 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 -5.906 9.585 -4.307 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 29.149 -0.284 2.895 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 -4.163 -7.133 0.469 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 8.233 -3.949 6.511 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 -0.039 -3.301 -12.289 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 -1.682 -3.454 4.349 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 -0.707 2.041 -0.905 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 9.305 6.979 -1.548 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 2.494 -4.424 -1.987 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 41.722 11.888 -7.980 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 8.880 12.670 -4.110 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 0.285 2.627 -2.072 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 11.020 13.696 18.887 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 4.948 -19.777 -0.076 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 0.244 -2.677 5.578 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 -5.699 4.168 0.151 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 13.572 0.656 4.122 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 -1.530 6.429 -4.023 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 4.936 2.752 -8.327 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 20.102 -8.871 -8.507 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 -1.289 -2.061 -4.427 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 10.692 -0.688 0.104 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 -2.226 6.630 -5.727 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 1.273 3.316 -5.264 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 -6.569 37.098 4.585 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 -0.232 -15.701 25.530 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 2.149 0.373 -1.309 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 -14.105 -22.058 -4.774 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 -11.279 -3.926 2.218 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 -3.382 1.102 5.180 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 6.282 -1.761 16.977 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 -19.076 -19.556 -2.791 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 -2.979 5.356 1.489 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 -2.870 0.237 6.965 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 -17.418 25.681 -3.444 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 -5.974 -0.370 -1.757 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 11.789 7.689 10.781 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 -11.559 -4.039 -4.270 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 -8.395 1.388 -3.086 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 0.682 13.832 2.712 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 10.241 14.100 2.163 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 -0.725 1.341 -3.150 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 2.373 -1.368 17.706 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 -3.025 3.968 -18.896 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 2.464 3.338 -2.553 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 1.290 -5.701 2.093 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 18.990 -1.739 -6.094 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 -0.841 0.905 -4.082 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 10.554 7.394 4.622 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 -15.100 10.982 -11.608 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 3.096 7.836 -2.579 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 8.148 17.561 -7.108 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 8.472 16.151 34.254 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 -4.255 2.561 -0.633 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 -18.874 -5.994 2.846 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 6.448 -4.986 -6.877 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 7.451 0.611 -0.367 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 16.621 -21.966 -7.197 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 -13.518 2.909 4.511 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 9.038 -2.435 0.461 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 4.594 1.819 -2.974 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 10.660 10.449 4.339 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 -4.161 5.737 4.054 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 -21.269 6.567 -1.884 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 8.627 2.561 9.792 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 -4.980 -2.011 -1.442 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 -1.971 -6.541 13.667 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 -7.526 1.310 -8.112 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 -0.016 1.511 -2.344 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 -8.634 -2.225 -13.341 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 5.214 -22.304 -0.482 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 -1.430 -0.644 -1.742 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 9.408 21.280 -3.341 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 -2.649 -5.185 -20.301 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 -3.974 -0.780 -3.255 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 4.843 12.079 -12.469 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 -16.869 -12.252 6.778 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 1.469 0.606 0.942 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 5.719 6.784 -11.753 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 -17.207 16.054 -10.774 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 -0.629 2.859 3.585 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 0.266 -2.194 5.639 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 1.488 -19.523 10.921 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 -0.127 -2.396 3.760 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 3.500 8.539 10.651 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 7.618 -8.361 -2.322 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 -6.303 -3.885 -2.292 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 5.184 -12.784 11.151 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 1.221 1.081 -19.340 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 5.060 1.796 5.491 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 4.372 12.657 -15.369 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 -7.758 -18.226 3.558 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 0.422 -2.329 -3.478 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 0.138 -2.964 11.963 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 14.197 8.609 -7.159 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 3.745 -0.925 -1.135 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 -1.073 -19.933 3.390 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 5.986 6.925 -1.252 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 7.812 0.789 7.570 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 0.377 2.594 24.264 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 -8.237 3.210 -6.404 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 -3.909 -1.245 1.983 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 -4.822 -3.723 3.629 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 8.657 14.295 3.520 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 3.275 2.533 -1.500 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 4.696 6.411 -10.371 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 7.093 19.199 -1.555 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 6.315 3.780 -0.522 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 5.071 -5.356 -13.000 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 -23.569 12.137 -18.608 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 3.705 0.436 9.247 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 6.550 -0.752 -2.803 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 2.516 -3.542 6.617 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 0.632 1.483 -2.279 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 10.284 8.362 -1.885 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 -22.795 -15.104 -7.109 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 -1.230 -0.127 -0.139 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 7.550 -18.914 -6.184 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 10.812 -6.701 -18.920 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 -4.370 4.917 -1.330 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 2.748 0.155 -5.654 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 15.120 29.583 15.954 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 8.178 -3.843 4.109 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 38.213 3.143 -3.007 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 -4.176 -9.376 5.609 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 0.719 6.429 1.632 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 -15.420 6.761 -2.918 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 19.692 -5.910 15.400 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 0.799 0.514 1.873 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 -17.972 -9.965 12.491 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 1.260 26.718 4.732 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 -3.200 3.545 2.506 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 -0.280 -10.629 5.417 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 -1.726 -6.242 5.976 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 4.650 -2.476 5.454 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 -10.486 9.981 -4.228 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 5.011 -8.987 7.139 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 1.689 -1.744 4.955 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 -0.045 -6.988 8.830 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 17.927 -3.937 6.364 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 1.200 3.494 -1.963 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 17.266 0.186 -0.521 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 -12.828 5.738 1.762 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 4.446 9.223 5.428 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 13.175 -2.534 24.113 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 7.417 -5.343 7.288 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 -1.927 2.399 -3.789 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 1.528 9.022 2.163 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 4.405 16.767 10.742 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 -4.437 2.803 -1.898 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 0.429 10.019 -19.853 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 0.919 7.821 -13.947 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 5.258 -1.602 1.392 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 -0.951 5.951 0.563 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 -21.739 0.175 -2.697 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 0.306 0.221 1.968 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 22.084 -9.040 10.642 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 -33.977 -12.734 -11.935 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 4.350 4.276 7.572 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 10.768 16.128 0.589 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 9.027 12.340 2.813 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 -9.520 -1.972 0.078 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 -12.401 -14.057 0.641 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 -7.547 20.006 -35.436 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 -1.698 0.890 -7.881 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 -1.251 -5.888 -4.678 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 -1.740 -2.541 -6.214 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 -12.175 -3.712 -1.403 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 16.488 -4.135 -19.524 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 24.981 12.649 9.526 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 6.279 -2.855 -2.697 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 8.967 -6.614 -3.275 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 6.878 -2.595 -1.948 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 -6.261 -2.772 -7.668 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 -3.598 -0.300 2.725 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 -7.112 -4.300 -13.464 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 -4.529 1.846 -7.135 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 3.156 -28.256 13.875 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 -14.237 -17.632 -39.480 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 -0.458 -3.466 -2.301 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 -4.973 -12.577 8.659 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 4.807 21.771 -25.279 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 0.729 7.478 3.936 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 6.797 -6.928 5.554 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 0.891 -15.601 -9.831 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 1.463 -1.208 -2.381 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 -3.761 5.343 -2.252 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 -10.096 -14.680 6.134 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 -5.494 4.316 4.991 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 -5.371 4.404 4.643 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 -15.079 14.844 2.292 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 2.450 -4.174 1.225 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 3.399 -11.759 -8.076 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 -8.121 -9.458 12.553 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 -6.121 -4.247 3.097 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 15.398 5.750 -4.559 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 6.153 -10.444 1.378 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 -0.623 -5.410 0.624 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 -24.589 1.958 -15.075 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 -3.167 -5.424 -1.167 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 -0.070 0.553 5.025 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 15.080 1.857 3.684 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 24.831 -13.597 -29.290 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 -6.927 4.972 -0.918 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 21.217 -6.764 -2.115 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 3.579 -22.131 0.213 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 -1.390 1.057 -4.486 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 9.346 13.538 20.751 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 -5.680 -4.491 -17.926 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 0.110 -2.133 2.900 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 22.836 7.405 -13.039 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 -21.520 -4.937 -13.305 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 3.552 4.260 2.218 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 -11.979 -17.400 -0.986 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 3.343 6.421 -5.239 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 -4.886 -2.398 -4.695 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 -6.019 -2.494 16.948 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 -15.119 -19.932 -10.291 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 2.961 -0.372 -2.337 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 -1.070 21.493 18.984 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 4.277 -5.331 -3.324 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 -1.493 -2.520 -2.906 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 -22.477 11.562 -10.790 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 -13.162 -14.238 -2.273 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 2.608 0.323 -8.697 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 16.065 -8.682 -1.427 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 -3.860 9.716 4.436 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 0.529 -1.029 3.267 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 -15.009 15.117 16.683 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 22.286 0.740 -9.985 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 -2.699 -2.451 -0.333 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 -8.887 5.929 -1.249 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 -1.149 -1.146 -20.286 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 -0.175 -1.897 -6.747 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 0.713 -4.942 -15.150 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 -10.924 -3.798 1.874 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 -0.344 -0.810 2.018 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 8.900 21.846 -0.778 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 3.967 -17.879 6.276 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 0.146 10.159 4.222 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 15.297 12.674 7.058 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 -3.285 17.286 -7.769 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 -1.880 -1.195 -10.854 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 -18.320 -13.603 -0.284 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 -9.250 9.898 -16.887 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 -1.442 -1.132 -3.063 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 4.105 -1.366 -2.161 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 20.886 0.240 5.220 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 4.278 -2.066 0.078 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 1.287 -15.403 2.736 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 -3.898 -16.897 7.840 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 3.896 0.220 -3.299 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 -13.063 -0.430 -16.316 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 -0.888 10.190 3.886 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 2.142 -2.328 3.634 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 0.317 3.650 -8.319 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 7.328 -16.471 22.520 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 10.091 -6.774 -3.139 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 9.474 -8.608 -1.990 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 15.882 2.895 -19.923 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 -2.195 1.385 8.283 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 -10.222 20.431 -3.488 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 0.740 14.968 5.059 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 -1.409 1.834 4.417 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 1.331 -1.761 -2.634 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 -10.806 12.083 16.023 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 -9.169 7.085 -0.422 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 -6.482 12.639 12.112 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 -6.901 11.067 10.077 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 0.574 1.604 0.830 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 -20.111 7.684 -2.707 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 -5.387 -5.488 4.953 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 -3.566 -3.793 -0.933 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 -3.047 -1.866 6.399 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 2.702 -1.312 -1.924 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 -2.555 -9.258 -6.053 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 -3.701 -11.157 -6.710 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 -1.670 -0.601 -16.184 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 -0.472 -3.348 -2.896 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 4.255 -8.247 -7.106 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 -2.140 -4.763 -2.750 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 -0.802 -4.607 -3.880 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 6.666 -4.551 1.162 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 -6.186 -14.381 -5.549 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 -6.425 -1.696 -0.677 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 -24.930 -0.264 5.711 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 21.262 -4.971 -9.042 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 3.482 1.646 -0.005 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 0.918 2.870 13.786 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 -2.859 -2.779 9.997 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 1.339 -6.032 -2.834 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 -8.719 -9.138 -0.322 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 2.060 -4.105 -6.649 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 -3.876 -7.097 -2.722 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 -7.528 -0.985 3.321 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 -13.104 -1.159 -6.756 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 0.291 2.318 4.399 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 0.612 4.853 0.522 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 -6.983 -25.454 11.960 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 3.557 -3.588 -0.697 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 1.374 2.595 -5.502 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 11.693 3.758 -6.568 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 3.017 3.774 4.342 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 -7.146 7.836 -0.514 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 0.796 -7.629 2.851 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 3.248 0.520 6.442 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 9.912 -7.921 -2.595 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 -5.815 -10.424 2.902 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 3.728 3.644 -1.409 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 -7.866 4.306 -0.652 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 9.656 4.486 -0.144 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 1.579 -8.191 -1.180 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 11.844 21.217 -14.939 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 1.293 -13.139 4.746 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 1.190 7.150 -4.947 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 -1.208 1.903 -18.056 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 0.474 3.780 -12.491 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 2.641 -1.371 -3.062 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 -7.415 6.840 -14.018 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 0.834 -5.206 8.908 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 -1.178 -1.478 2.098 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 1.224 6.324 12.547 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 -11.950 -6.226 4.985 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 2.761 -0.134 0.075 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 -0.409 -13.496 1.009 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 4.464 11.458 7.240 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 -2.246 -2.655 0.780 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 -1.784 -0.886 -3.193 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 -6.051 -3.363 -0.254 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 -1.743 1.397 -2.507 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 -2.073 1.760 -3.223 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 1.803 5.149 1.610 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 -3.186 -9.926 -3.798 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 9.524 -29.426 21.761 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 7.676 -9.597 9.762 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 -0.795 -1.978 5.875 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 28.706 3.637 -5.679 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 -13.348 -16.482 7.919 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 -2.070 2.395 0.534 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 -21.603 -1.377 20.429 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 12.088 -27.609 -10.979 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 4.797 2.776 -4.341 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 -15.264 24.127 18.378 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 7.547 9.151 25.550 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 -3.738 1.590 -2.330 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 8.602 30.838 -16.381 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 -1.191 9.268 -0.407 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 -4.151 -3.667 -2.434 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 5.446 6.442 2.158 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 6.736 -11.934 4.065 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 -0.549 0.674 -1.414 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 8.270 3.132 9.259 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 8.330 -7.030 -7.441 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 -0.040 -0.843 0.220 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 11.464 7.181 2.823 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 -2.988 -8.452 -1.199 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 1.348 -3.587 -4.617 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 0.993 -3.698 -4.282 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 0.314 -4.758 -6.450 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 0.140 3.762 -2.491 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 -5.748 2.925 8.631 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 -5.104 -3.862 -5.007 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 -2.067 2.822 -1.087 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 4.169 0.354 27.447 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 -6.852 -0.319 -16.037 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 4.120 1.729 1.766 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 1.231 5.906 4.789 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 14.781 -3.997 1.612 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 1.101 5.859 -10.285 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 -12.821 -4.637 -15.405 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 -1.506 -0.829 -13.638 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 4.083 0.098 5.631 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 1.388 -17.075 -11.056 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 -20.085 7.340 13.606 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 -3.104 1.583 3.446 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 -21.259 -7.241 12.603 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 1.620 3.913 1.708 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 -5.514 -0.372 1.443 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 -16.396 -0.131 -6.769 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 1.202 -8.774 16.018 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 -7.662 1.334 -1.090 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 1.850 0.386 5.236 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 2.868 2.792 12.351 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 3.217 0.213 2.008 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 -18.281 0.448 -7.719 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 8.961 3.096 -9.905 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 0.826 -0.989 -1.215 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 -21.601 2.217 10.444 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 2.392 -5.690 -7.220 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 -0.775 2.461 -0.878 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 -5.118 1.636 11.312 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 8.270 -0.473 -11.088 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 1.855 2.286 -1.131 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 2.112 9.177 9.157 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 -8.477 2.604 -3.094 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 1.036 0.164 0.430 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 -1.185 0.143 18.238 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 25.878 -18.049 -0.163 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 4.461 -5.219 7.716 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 -1.372 -12.368 4.052 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 -1.747 6.517 4.755 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 -5.120 -2.359 6.601 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 -19.479 -7.280 -4.404 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 3.041 -0.187 -36.876 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 -2.221 1.334 -0.593 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 -0.523 -0.866 14.356 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 1.751 -11.071 -0.008 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 6.390 -4.917 1.553 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 -7.337 -0.754 -11.155 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 -6.652 8.788 4.450 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 0.495 4.649 -1.170 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 -10.008 1.111 -13.972 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 -19.435 1.442 6.956 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 0.569 -1.654 -0.065 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 -17.518 13.217 2.171 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 10.550 -8.058 -13.091 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 -4.575 4.217 -0.831 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 -17.344 2.259 8.496 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 -12.262 2.889 4.721 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 5.164 -3.578 -5.423 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 3.790 -5.141 -4.794 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 -7.040 -1.850 19.358 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 -0.934 -6.670 4.061 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 15.415 16.714 -15.176 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 2.748 19.569 -36.157 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 4.041 -0.980 7.909 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 5.914 3.465 0.192 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 -3.165 3.517 -0.772 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 0.774 1.883 0.185 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 -6.484 -23.185 -18.262 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 10.245 -18.835 -8.644 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 -2.916 3.782 -0.783 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 -3.698 1.196 -3.726 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 -2.860 5.504 6.417 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 4.894 -0.306 4.046 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 8.128 11.552 -5.107 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 2.827 0.366 -9.246 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 -0.893 2.529 8.066 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 4.444 -4.007 -2.893 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 -2.385 -9.401 15.600 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 2.548 4.032 0.547 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 1.618 13.361 -5.031 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 -4.106 -2.816 -8.464 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 4.844 2.278 -4.040 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 3.947 5.711 5.406 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 -4.613 9.606 -7.431 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 -4.031 -1.702 -0.163 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 -9.978 -7.435 21.487 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 9.708 -0.963 1.667 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 1.052 0.316 4.970 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 -2.761 -0.513 5.378 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 15.189 -4.279 -1.177 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 7.354 2.858 4.063 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 -10.955 6.720 8.069 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 26.830 -7.666 6.800 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 -4.260 0.683 -0.378 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 -3.015 5.118 -0.945 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 -17.357 9.278 -7.914 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 1.884 3.331 9.013 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 -6.795 15.218 -6.819 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 -22.270 -8.595 2.723 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 4.163 -8.455 7.335 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 12.508 0.413 -10.149 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 5.539 -3.645 14.386 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 7.601 5.071 1.514 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 32.037 6.302 -1.615 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 0.808 0.742 -8.404 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 2.173 -1.100 -2.176 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 -1.865 13.850 -7.934 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 12.843 -16.467 15.137 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 4.110 2.138 -3.899 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 -6.424 5.466 -7.694 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 6.666 -35.032 12.224 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 0.725 0.178 -5.492 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 -17.669 20.448 14.272 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 -24.835 -9.149 -5.912 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 -3.810 4.371 -1.901 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 -1.259 -10.661 -2.701 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 -7.596 -5.546 1.469 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 -1.168 -6.286 -9.755 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 18.878 -6.889 -15.010 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 -17.083 -12.584 -0.532 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 4.114 6.180 -1.362 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 7.464 6.178 -1.931 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 6.464 6.184 -1.728 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 -0.954 2.561 -5.897 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 -7.238 4.554 -1.516 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 -4.904 4.094 -3.720 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 1.566 0.903 4.365 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 4.573 -4.019 -10.591 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 2.102 4.809 16.874 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 -6.315 -6.083 -4.484 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 -0.876 -3.580 -20.703 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 7.490 -17.034 -13.415 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 0.224 -0.512 -4.677 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 -4.156 -5.608 -3.927 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 17.337 12.506 -2.525 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 -0.353 7.373 2.269 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 7.045 -1.560 11.836 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 -5.190 1.794 -19.464 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 3.233 5.689 1.137 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 27.541 -20.400 -28.972 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 -2.016 -0.452 15.729 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 -0.444 0.387 -2.561 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 -15.003 9.733 -3.162 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 0.300 -15.601 13.657 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 3.581 -5.742 1.802 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 -0.269 -15.758 -1.150 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 -4.775 -5.158 -0.712 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 0.684 1.652 5.784 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 -15.769 -19.990 18.274 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 -2.741 11.138 10.225 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 5.597 -4.537 4.642 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 -7.490 -16.284 3.982 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 18.855 -11.557 -5.083 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 -0.110 2.879 7.666 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 17.500 -36.761 9.445 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 -0.921 0.108 -10.969 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 -1.407 7.997 -8.485 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 1.892 12.715 -12.727 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 0.466 7.539 -5.303 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 -1.562 0.916 5.239 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 -0.032 5.931 -7.859 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 7.749 12.185 -4.855 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 -0.394 1.065 4.922 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 -8.050 0.225 10.887 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 3.594 6.732 8.318 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 -3.392 -1.285 -0.303 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 -15.909 -8.270 -1.569 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 -6.668 -3.171 2.873 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 -2.056 4.655 -2.394 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 1.417 1.940 -6.863 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 -9.397 5.436 21.500 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 -3.039 4.970 -1.397 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 2.115 31.069 11.318 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 10.531 1.962 -25.506 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 -7.855 -1.488 4.946 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 -2.344 6.585 -11.627 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 6.017 -16.845 8.623 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 3.571 -2.307 -4.798 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 2.993 -12.403 2.984 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 -3.247 -6.628 -15.166 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 -6.177 -0.740 -2.278 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 15.569 -12.183 14.076 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 -27.196 -14.040 7.047 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 -7.242 -1.321 -1.181 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 -24.436 16.751 10.940 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 -8.791 8.448 -26.028 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 7.521 3.531 5.407 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 4.534 -19.575 8.791 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 -4.814 8.532 26.258 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 -2.973 -1.039 0.757 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 -3.546 -7.894 -0.417 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 -8.889 -2.745 3.899 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 -3.304 -4.854 0.413 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 -4.492 28.373 9.709 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 -9.952 19.143 14.644 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 0.024 -9.134 -3.983 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 7.334 -1.599 1.042 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 -10.737 -16.169 -13.851 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 -1.093 3.627 1.590 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 2.858 18.468 -8.224 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 -11.285 -1.532 16.846 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 1.342 -1.677 -5.793 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 -9.786 -1.664 -17.097 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 7.861 -11.344 -0.741 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 -1.312 1.544 1.551 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 13.842 4.203 6.592 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 -6.053 5.334 3.057 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 -2.240 1.139 -2.400 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 3.093 -15.776 3.910 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 -7.333 -15.204 -10.079 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 5.345 2.260 -6.947 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 -8.950 -11.137 2.051 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 11.874 -3.612 -2.756 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 -1.103 -3.210 -2.758 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 -0.416 1.968 -9.870 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 -25.705 13.878 0.923 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 -0.077 -1.377 5.721 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 4.039 -2.913 8.302 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 -6.767 -3.743 0.861 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 1.519 2.354 5.981 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 3.433 20.322 -5.706 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 16.302 -16.142 -16.600 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 -2.973 4.871 -1.297 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 9.687 2.490 -11.067 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 4.204 11.128 -26.740 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 3.635 -1.612 0.859 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 9.527 -1.824 21.454 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 -2.794 6.835 12.753 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 1.263 -7.198 -3.585 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 17.810 -7.448 5.692 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 -20.434 -27.750 -12.495 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 -6.783 3.315 2.610 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 -4.182 -7.220 1.345 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 -3.820 0.350 1.107 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 6.829 1.102 4.538 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 8.915 -0.384 4.775 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 18.823 -6.685 -7.727 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 -0.648 -4.241 4.445 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 17.331 -5.496 -1.519 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 7.904 -1.840 -2.670 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 4.360 0.985 4.358 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 12.342 -10.781 -0.464 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 -8.247 -9.798 -0.773 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 2.348 0.265 -3.104 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 2.427 -15.357 -13.414 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 -10.275 10.077 7.954 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 4.671 -2.402 4.341 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 19.000 -5.087 9.860 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 8.632 -4.477 4.864 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 1.171 4.456 -1.429 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 -2.429 0.913 1.465 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 -2.019 0.845 0.903 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 -4.964 1.904 -1.065 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 3.537 16.324 -7.181 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 17.127 -0.786 -8.961 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 -0.434 3.153 7.573 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 6.790 13.274 -4.090 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 -0.235 0.169 -4.825 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 -0.009 -14.581 -1.177 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 5.994 -21.342 -4.404 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 2.054 -15.743 -8.659 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 -4.591 6.124 -4.078 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 0.869 17.333 -3.864 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 -12.219 -22.886 -10.947 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 1.899 -4.131 0.225 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 4.070 -5.266 1.898 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 -0.658 -4.104 0.719 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 1.045 -1.356 -1.273 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 -0.171 -19.555 19.840 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 5.335 12.992 16.979 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 -5.239 1.559 -1.610 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 -8.833 1.714 -5.362 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 -7.515 0.283 -3.572 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 0.783 3.644 -6.061 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 -3.228 -5.001 -14.456 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 15.236 6.195 0.586 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 3.136 -3.863 0.232 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 22.597 1.338 -2.681 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 3.423 -3.872 0.091 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 0.368 0.336 -3.457 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 1.298 -5.194 -14.602 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 11.045 -6.289 11.462 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 -0.030 -0.065 4.465 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 -3.868 9.052 31.162 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 -3.960 -10.368 -5.875 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 3.862 -0.230 -1.960 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 25.929 10.447 -14.939 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 11.438 -9.516 16.541 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 2.628 -4.582 -1.776 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 -29.033 -23.633 -26.257 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 -24.513 -18.624 -19.471 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 -0.022 -5.749 -7.431 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 -10.591 -18.505 -8.332 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 -11.868 6.913 -14.807 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 0.581 0.516 -7.636 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 -24.597 -9.540 14.204 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 4.604 5.656 -12.141 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 0.061 -3.029 -1.752 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 -2.000 -5.632 -3.687 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 1.910 -2.420 0.594 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 2.703 0.244 0.635 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 2.073 -8.247 4.267 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 -15.796 -5.653 0.492 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 5.106 -1.356 -4.101 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 4.456 -23.470 3.680 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 14.443 0.067 -11.529 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 -3.380 -7.950 3.820 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 16.249 -1.607 -0.402 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 22.589 5.359 4.907 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 -4.297 2.847 -2.689 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 -10.179 20.459 -3.769 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 10.325 2.872 -0.393 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 3.738 -4.490 1.299 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 -9.360 -11.734 17.318 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 -7.421 11.932 -6.546 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 -1.314 -1.376 1.711 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 25.824 -29.178 -14.002 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 -7.871 6.104 9.441 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 5.360 2.513 1.380 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 9.930 3.308 -16.399 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 4.234 2.954 5.204 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 -7.002 3.803 -4.036 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 1.295 17.660 -1.743 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 9.550 8.047 -22.190 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 0.122 -8.737 5.839 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 -21.184 12.158 15.889 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 22.666 -4.893 -12.694 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 4.062 -2.071 0.977 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 -1.285 -8.086 1.286 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 3.114 12.575 5.506 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 1.314 -5.519 -1.600 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 19.885 21.155 1.792 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 0.460 -1.391 -2.201 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 7.706 2.192 8.417 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 -31.348 5.149 -21.312 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 -1.483 -4.636 3.900 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 3.394 2.150 2.709 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 6.238 2.063 -32.422 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 -4.471 -39.076 2.345 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 -4.438 3.478 0.563 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 -10.599 -8.348 4.347 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 7.193 -0.599 -6.825 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 1.128 3.474 1.909 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 17.973 -17.854 -21.381 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 -17.440 22.992 -3.502 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 -11.560 -7.644 -4.926 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 -20.733 -6.924 -17.459 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 -10.200 -0.310 -0.051 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 -0.977 -7.797 1.995 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 -19.155 5.768 -3.046 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 9.854 -25.302 1.547 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 0.560 -0.010 -1.949 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 10.557 6.365 0.486 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 -1.524 -18.196 7.225 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 -4.150 7.692 -1.877 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 15.311 -0.322 -21.674 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 -12.902 20.913 -8.952 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 0.980 -0.591 -0.702 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 0.542 2.634 -9.352 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 -5.799 -5.258 -0.948 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 0.483 1.094 2.102 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 -29.556 12.646 -21.362 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 1.430 18.512 -24.906 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 0.760 -3.351 3.979 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 8.087 4.569 9.400 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 -13.552 -19.371 -8.251 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 -0.301 0.676 3.047 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 -14.684 -2.688 4.741 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 -1.011 4.523 29.838 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 -3.263 3.455 -6.039 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 1.446 -24.908 11.877 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 19.725 -5.212 -11.916 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 2.795 7.415 -0.689 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 0.772 2.370 -8.835 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 1.963 2.986 -8.777 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 -6.573 -7.366 9.901 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 -2.009 12.288 21.561 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 -19.709 -26.925 3.091 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 -5.414 1.836 -1.846 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 -16.083 -19.616 22.377 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 -9.100 -8.243 5.411 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 0.755 -2.047 8.430 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 6.420 4.524 2.118 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 -2.930 9.572 24.213 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 0.437 0.259 -4.068 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 2.508 3.114 -5.254 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 28.246 -17.432 0.332 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 -6.781 4.813 2.008 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 19.157 2.243 1.073 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 5.081 9.200 4.185 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 -1.139 -6.054 0.279 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 12.771 -2.404 -19.648 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 18.369 -16.132 -27.513 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 0.328 5.869 -3.902 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 7.395 9.094 -0.081 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 13.337 20.669 -9.192 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 -2.465 2.319 -0.024 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 25.316 -18.641 2.886 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 -4.766 10.858 13.903 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 -6.361 5.510 0.098 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 9.323 6.259 -0.259 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 -31.539 6.866 -9.605 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 2.118 4.461 -4.526 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 -2.144 7.709 -2.047 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 6.496 -5.934 6.739 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 2.538 -1.384 -1.771 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 31.046 -11.747 -0.709 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 -5.060 7.325 0.944 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 -6.038 3.805 -2.757 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 -4.832 4.276 1.845 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 1.724 3.965 -3.364 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 3.138 4.729 8.586 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 13.260 -5.144 7.538 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 -24.005 -3.817 41.477 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 -3.643 4.731 1.413 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 -20.157 -5.469 -1.874 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 8.939 11.628 3.973 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 5.142 -1.514 -3.633 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 12.142 -4.942 2.668 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 10.824 13.630 -27.971 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 -4.886 -4.835 -5.811 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 7.637 1.243 13.414 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 16.819 16.261 10.337 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 -2.260 4.260 6.966 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 -2.772 0.848 10.988 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 -4.243 -5.401 19.439 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 -5.962 1.454 -0.113 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 -16.551 21.346 -6.399 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 -3.927 9.241 -7.712 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 -3.962 -8.938 -1.992 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 -16.368 -0.515 -8.667 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 -1.581 7.217 3.090 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 1.440 2.313 -5.567 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 -9.400 -0.576 -1.563 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 -3.406 3.312 -0.829 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 8.190 0.745 2.661 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 2.555 -0.302 2.406 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 3.743 3.127 8.657 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 -0.629 2.374 -5.799 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 8.228 10.027 -1.317 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 -16.162 0.513 10.522 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 -0.829 2.886 3.564 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 -15.452 12.722 2.928 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 -11.168 12.682 -2.465 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 3.308 2.907 -7.713 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 -14.468 5.327 10.541 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 -7.918 8.419 1.964 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 -4.405 -5.304 2.574 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 -5.943 3.325 17.329 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 -10.559 -3.901 -6.050 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 3.179 -0.117 -1.872 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 10.119 -1.375 -1.227 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 0.892 18.891 -5.365 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 -7.980 3.684 2.601 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 0.691 -11.849 2.444 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 0.574 -7.412 -7.862 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 1.980 0.220 -5.956 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 4.647 -9.578 -19.395 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 0.931 9.657 1.188 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 0.959 -0.494 4.454 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 0.016 0.360 3.457 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 -4.290 5.035 11.489 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 -6.599 4.868 0.219 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 13.829 4.530 7.692 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 2.843 17.632 -15.607 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 -6.440 0.717 2.153 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 39.118 -31.366 -6.695 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 16.145 13.861 -23.261 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 4.581 -0.512 0.861 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 14.856 4.104 -9.389 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 -7.243 -7.678 7.994 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 1.302 1.032 -0.357 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 13.051 6.505 -6.765 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 -2.056 14.375 33.087 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 -0.404 9.202 -7.492 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 10.375 4.053 6.433 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 5.392 20.310 -15.630 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 3.446 4.708 -5.227 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 -11.178 36.789 -12.931 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 -13.954 -2.371 22.991 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 1.990 0.291 -0.354 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 4.589 10.865 -3.144 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 -3.589 -1.469 7.096 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 -1.205 7.474 -6.902 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 10.608 6.179 -17.281 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 21.810 5.430 -27.239 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 6.760 3.809 -0.686 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 -3.278 2.323 9.579 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 12.584 5.070 -14.567 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 -1.747 -2.098 -1.379 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 25.109 -4.782 2.471 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 2.585 5.669 -22.960 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 -3.473 1.064 -2.901 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 -13.674 -9.853 12.152 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 -2.820 -1.767 -9.932 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 0.598 -6.556 -0.087 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 -5.874 -4.172 -0.977 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 -2.222 -6.820 6.494 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 -6.113 -1.268 -1.676 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 -22.675 -8.617 13.777 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 -17.820 15.922 -16.697 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 0.292 -2.092 -1.373 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 25.343 -14.439 -19.918 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 -16.354 -0.423 -8.289 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 1.687 5.443 2.726 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 -6.104 10.995 5.626 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 4.538 -3.771 -4.592 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 -4.939 -3.617 -0.586 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 11.372 22.697 9.690 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 6.625 -22.453 1.721 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 -1.978 -6.334 1.763 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 8.583 11.324 -1.348 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 1.701 0.542 2.009 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 5.608 1.078 1.252 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 -14.469 2.937 -8.394 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 6.648 21.176 11.112 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 3.468 1.587 -13.444 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 -4.527 16.234 -18.360 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 22.313 -2.547 2.094 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 3.037 1.728 0.861 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 -4.847 9.127 6.048 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 8.936 -4.392 22.853 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 0.042 -3.975 -0.296 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 -2.336 -18.782 -3.596 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 7.586 0.309 3.801 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 0.098 -0.752 -0.258 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 -6.528 -8.443 -4.819 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 -12.964 -20.816 4.349 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 0.888 -4.543 0.787 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 2.911 -8.627 1.155 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 7.435 -14.052 0.163 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 0.771 -6.178 -3.215 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 -4.758 3.242 7.276 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 -2.344 -1.255 2.258 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 -5.491 0.838 -6.766 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 -4.131 13.502 1.767 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 3.015 -2.560 -18.443 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 -2.021 8.719 0.012 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 20.031 -9.668 -5.157 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 -20.944 25.507 5.982 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 0.617 0.309 -3.501 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 8.893 -1.032 -1.501 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 -7.438 7.167 -4.323 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 -3.875 -5.093 -2.608 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 16.414 -8.689 0.722 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 19.072 -18.858 11.682 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 9.467 0.389 -4.636 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 1.236 14.922 -12.890 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 -3.876 -3.965 8.608 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 -2.545 1.212 -2.239 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 -5.565 5.566 -3.300 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 20.665 -31.527 8.687 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 -3.928 -1.359 -4.959 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 -7.493 13.434 10.432 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 21.859 -5.207 -0.005 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 2.127 -4.272 -4.969 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 16.593 6.419 11.422 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 2.664 -3.172 -5.099 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 2.383 5.838 2.386 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 -3.933 -7.105 3.378 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 7.226 12.834 0.199 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 4.519 -6.862 2.827 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 7.576 6.593 -1.796 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 -7.016 7.860 -17.148 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 -0.532 -0.422 4.043 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 11.665 1.526 0.336 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 -4.346 5.506 4.428 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 -6.891 3.635 -4.152 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 -5.880 7.337 -1.612 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 -5.054 9.802 -0.220 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 2.318 -0.340 3.391 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 7.866 2.395 1.832 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 -3.338 -4.207 -5.894 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 3.654 1.449 8.015 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 19.302 -3.970 17.945 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 4.401 4.923 17.102 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 -5.251 0.015 5.317 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 -11.365 8.044 -0.153 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 1.653 -4.924 10.814 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 5.501 5.126 -0.953 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 -5.187 10.991 9.955 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 12.188 14.216 -16.411 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 -4.312 6.000 -4.666 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 15.094 19.808 -9.000 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 19.058 12.281 -14.401 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 1.003 3.692 -2.846 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 -1.417 2.119 -11.671 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 -3.159 -9.654 3.411 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 -2.805 -1.451 -2.119 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 9.966 -0.988 3.720 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 1.048 -4.744 -11.307 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 -0.103 -7.307 8.058 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 5.389 -14.295 -9.945 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 13.330 -4.544 16.809 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 4.811 -3.990 4.020 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 17.160 5.324 -11.616 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 -12.183 -20.049 13.918 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 -3.476 -3.358 1.606 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 24.029 5.815 26.488 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 -9.031 3.537 1.500 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 -3.730 -4.737 0.332 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 -31.035 4.897 17.580 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 15.776 -3.726 8.392 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 -4.459 0.360 5.851 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 -7.271 0.090 4.377 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 -0.832 -2.283 1.697 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 -1.281 -2.459 1.702 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 -1.427 0.029 -0.077 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 -0.633 -5.897 4.405 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 -5.153 0.642 -1.155 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 -16.143 -10.708 -12.434 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 -6.982 0.331 -2.294 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 -0.456 -1.777 3.543 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 -14.813 18.130 8.829 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 10.098 1.301 -0.171 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 3.857 -4.246 -0.025 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 6.475 -5.151 -4.782 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 -10.293 -3.274 -2.479 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 1.468 -2.283 1.300 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 -8.895 34.697 29.610 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 1.806 9.168 -0.381 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 -3.555 6.305 4.775 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 0.306 18.980 10.424 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 2.238 11.467 -31.595 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 10.207 -3.189 -1.545 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 -2.782 -5.466 1.635 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 0.399 -7.035 29.125 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 -1.676 -3.083 -3.833 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 -10.255 22.099 -15.202 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 -6.162 13.739 -18.009 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 -1.815 3.456 -0.086 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 3.186 -4.455 -10.592 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 -0.016 13.333 -3.109 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 4.413 -6.243 3.489 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 3.751 -5.731 12.400 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 2.462 -7.182 1.893 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 5.431 -4.991 1.198 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 9.070 2.732 -0.953 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 1.068 -5.840 -4.177 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 4.481 -7.027 5.529 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 -3.185 -14.553 10.013 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 6.955 2.434 18.978 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 -2.430 -3.469 -0.565 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 -8.512 -5.418 3.557 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 -4.312 -2.152 4.493 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 -1.570 3.655 -2.349 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 1.416 6.107 -17.441 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 9.260 -0.922 -6.902 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 1.790 4.888 -7.414 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 7.304 0.956 4.868 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 7.038 -3.063 -24.156 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 0.115 -0.971 -3.271 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 -11.233 -19.919 -2.767 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 5.541 8.233 1.505 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 -1.641 4.303 2.217 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 4.882 7.047 8.599 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 -0.820 10.364 -0.511 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 -3.860 -1.033 0.219 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 10.442 7.465 4.983 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 1.004 -4.751 -5.448 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 -4.216 -2.896 -2.594 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 6.819 7.617 10.359 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 9.487 6.575 -20.460 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 2.866 -1.233 0.180 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 -15.542 -8.228 22.503 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 5.695 -8.317 17.752 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 -0.494 -2.638 -1.763 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 -14.378 9.388 -5.468 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 6.945 4.526 -6.206 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 0.077 -0.577 0.743 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 13.523 -18.640 12.455 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 4.475 -5.789 -2.420 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 -2.005 -1.788 6.055 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 10.566 4.079 11.460 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 -3.739 2.151 9.092 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 -1.841 0.745 4.393 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 -9.222 1.232 16.597 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 -4.757 -12.090 -0.967 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 -4.136 1.142 -8.888 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 10.800 26.848 -2.579 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 -2.341 -19.207 7.443 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 1.394 4.573 0.507 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 -21.410 -2.700 1.806 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 5.493 -0.520 22.833 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 -4.323 7.243 0.841 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 -2.608 13.834 -11.934 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 -18.523 -12.276 -2.776 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 0.451 -0.165 1.676 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 13.878 14.740 3.058 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 -4.328 3.585 22.373 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 -3.924 -0.563 -5.440 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 -15.012 20.607 0.535 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 -11.284 -8.467 1.840 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 -3.426 -3.600 -3.558 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 2.770 -2.342 3.769 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 1.893 2.662 -10.291 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 0.598 -2.697 2.473 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 -15.676 5.278 -9.632 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 -2.185 12.454 31.755 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 7.076 -2.703 -3.330 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 -8.980 -7.661 10.330 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 21.584 -9.818 -17.643 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 4.712 5.624 5.707 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 17.575 11.189 -0.196 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 5.763 11.044 1.908 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 2.238 2.618 -6.047 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 -0.389 -16.171 -8.422 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 -15.100 -13.738 7.322 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 2.543 5.296 3.115 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 -6.062 3.579 5.060 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 -17.097 -6.220 -9.511 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 2.697 -0.389 4.342 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 -15.130 34.083 -32.195 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 0.530 6.535 32.880 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 4.203 -3.876 0.412 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 -1.788 1.467 7.998 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 -0.614 -43.704 -1.920 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 -4.873 -1.170 5.917 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 -7.917 2.914 24.205 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 -2.144 -2.044 -29.309 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 3.942 4.831 -0.944 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 4.876 -3.275 -3.043 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 8.325 -14.646 -1.708 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 -4.070 5.668 -7.168 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 -2.050 -6.497 13.802 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 2.406 0.947 -18.282 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 -3.016 0.494 2.377 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 0.875 21.707 14.503 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 5.528 0.055 -12.632 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 -3.569 -10.510 -3.771 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 3.943 -6.755 -13.383 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 -0.966 -8.409 1.983 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 9.631 0.490 0.876 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 -1.724 -7.751 2.295 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 14.076 5.619 10.823 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 4.075 -4.822 -3.670 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 3.570 -22.507 2.729 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 3.203 8.267 -8.046 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 2.647 -1.045 -1.873 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 1.394 1.318 -3.000 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 20.328 10.921 -19.822 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 -2.825 6.303 4.178 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 -1.469 17.581 -18.080 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 -2.207 7.711 2.428 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 -0.273 4.998 -1.091 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 12.113 -15.364 27.676 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 16.284 -13.398 -27.852 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 -1.493 -4.837 0.856 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 20.804 17.010 -1.148 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 24.397 2.575 -30.821 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 -5.385 -0.933 -4.178 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 0.676 43.846 18.307 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 -17.160 -14.588 5.809 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 -0.302 4.200 -0.254 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 -6.527 8.569 -14.590 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 12.934 0.544 4.285 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 -0.242 7.380 -5.815 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 -4.938 -5.755 4.772 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 4.471 24.355 -18.211 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 -2.858 -3.604 -0.905 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 9.044 -3.604 -0.768 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 9.207 -3.099 -1.956 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 1.129 1.470 0.638 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 -0.065 0.850 -0.118 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 2.405 -4.837 -1.470 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 -9.806 4.139 -1.068 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 -14.033 2.598 7.784 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 28.291 -19.701 -11.331 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 -2.449 -0.489 -0.409 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 7.421 10.647 -9.840 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 -1.108 -1.736 7.920 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 -2.796 -6.891 -0.375 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 8.688 0.733 -2.525 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 -3.375 -19.630 0.676 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 4.057 -1.684 -3.992 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 -8.179 -22.416 8.941 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 -13.305 -9.185 6.267 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 1.552 9.890 0.282 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 13.023 -4.379 -9.501 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 9.121 2.764 -3.630 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 5.374 -5.682 -4.712 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 -9.746 -1.103 1.112 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 -13.453 -3.301 -2.604 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 6.085 -1.494 -0.659 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 25.934 -7.920 14.429 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 2.390 -2.903 25.652 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 -2.969 3.412 1.388 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 -1.970 -5.270 -5.817 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 15.456 2.295 -13.559 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 -4.112 2.849 -1.206 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 11.855 -11.203 13.462 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 -23.108 -18.618 7.482 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 -2.676 4.157 -1.421 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 15.312 15.202 16.616 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 10.923 -16.896 -13.559 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 -0.158 4.998 -4.729 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 11.679 -14.476 5.097 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 -2.141 8.172 -5.843 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 -2.923 -5.963 5.431 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 6.320 -8.392 -21.212 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 -32.239 -11.941 20.848 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 -3.521 -0.200 4.555 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 1.837 16.517 3.251 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 7.627 2.388 -11.013 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 -3.725 -1.307 -2.559 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 -7.063 2.104 -11.037 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 2.389 3.654 -6.689 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 7.835 -0.331 0.563 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 8.988 0.774 15.935 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 -2.931 8.412 27.549 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 -2.495 -7.265 -0.851 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 -20.492 -10.196 -20.045 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 1.242 -14.560 -19.547 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 7.770 -4.072 4.868 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 -11.813 7.782 -1.538 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 0.953 -28.336 17.297 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 1.538 2.186 -4.026 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 -10.423 15.777 -7.762 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 9.653 -12.044 -10.528 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 1.120 -0.268 0.471 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 20.309 0.959 -10.498 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 -12.129 3.500 -17.390 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 -0.677 4.911 -7.468 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 -3.629 -17.040 -11.932 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 2.456 25.303 -2.530 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 -5.725 -0.574 -2.150 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 0.389 5.714 -15.440 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 -0.646 1.103 3.235 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 1.705 -7.560 -4.380 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 -1.629 -9.290 -2.467 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 20.734 5.710 -7.483 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 4.098 1.266 1.019 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 20.865 -5.290 -3.095 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 13.315 13.517 -18.494 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 -0.444 -7.320 -5.856 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 -14.864 -0.595 -5.732 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 12.387 4.236 5.555 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 -1.497 -6.014 -8.821 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 -13.973 -32.266 -3.196 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 -11.325 -12.117 -5.264 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 -4.034 0.716 -3.667 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 -0.141 4.521 -14.387 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 -0.682 3.413 -9.108 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 -0.850 4.963 -0.431 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 -10.056 -7.665 31.341 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 -2.686 -18.796 -25.918 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 4.729 3.513 -8.601 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 4.024 -2.786 -13.694 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 0.776 -13.831 -3.447 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 3.399 3.974 -5.105 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 -1.063 -14.983 7.303 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 7.274 -12.558 -12.104 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 1.220 -7.628 -0.141 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 19.449 -11.706 -1.937 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 -20.055 10.365 2.540 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 6.731 0.520 5.231 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 7.711 -0.676 -3.027 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 2.809 4.137 -10.870 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 -2.052 -4.041 2.536 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 -0.168 0.634 -0.044 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 -5.116 -2.334 -20.136 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 0.958 -1.951 0.249 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 -3.587 -23.151 4.602 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 1.227 -1.767 -22.936 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 -0.883 3.817 -2.656 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 19.662 -5.203 -7.203 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 8.474 24.517 -2.287 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 -3.886 -2.046 6.995 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 -0.575 -9.228 5.050 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 -8.204 16.900 13.022 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 0.904 3.911 1.207 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 -2.815 15.920 4.560 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 13.499 8.358 -6.044 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 0.267 4.395 2.335 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 0.726 7.296 22.485 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 -11.341 -6.206 0.941 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 0.519 -2.046 -2.990 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 -9.071 -13.613 10.950 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 -14.265 4.629 -12.020 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 -1.911 -1.147 3.955 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 6.560 14.195 -4.560 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 11.766 -1.051 8.522 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 -1.343 7.458 -1.668 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 11.216 6.189 11.771 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 -3.275 0.921 -1.615 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 -2.577 0.243 -9.030 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 -14.206 25.709 4.710 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 -5.705 -24.005 4.377 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 0.247 -2.283 6.417 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 -0.535 -20.963 -18.694 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 12.114 -13.962 -22.695 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 3.288 -8.763 -0.823 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 4.547 7.975 -12.760 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 14.295 -0.993 18.922 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 -7.831 -6.660 -2.978 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 -6.391 -5.224 -15.323 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 -7.452 -6.215 -9.405 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 -3.095 -0.390 1.917 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 3.327 -9.543 0.998 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 19.731 -4.130 29.371 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 -0.505 -2.642 -5.588 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 3.989 -13.375 -0.852 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 -14.194 -21.594 -23.206 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 -1.474 6.513 2.833 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 1.821 26.768 13.635 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 1.855 9.440 12.576 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 4.660 7.002 -2.163 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 15.911 -1.320 43.213 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 -2.828 6.051 -14.779 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 0.573 1.101 4.191 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 -8.135 -2.768 -16.000 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 3.567 16.038 16.200 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 -3.394 -7.067 -4.375 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 -22.762 -5.377 -6.849 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 27.076 -19.266 -2.627 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 0.040 4.589 -0.766 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 -22.630 2.401 -15.332 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 0.405 4.894 -6.638 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 -4.467 1.908 -8.578 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 -5.421 4.475 -26.821 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 -29.109 -4.263 -6.773 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 -1.244 0.575 -0.760 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 12.974 4.216 -5.677 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 2.313 0.613 -14.340 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 5.723 -1.090 7.383 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 3.039 41.790 -14.338 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 -16.399 -3.144 27.612 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 2.631 2.176 3.972 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 6.951 -25.314 0.942 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 -10.482 -3.970 -15.494 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 -3.181 7.592 4.180 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 -7.061 4.124 1.247 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 -11.183 2.925 -1.297 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 -3.437 2.797 3.848 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 -2.187 -8.381 -8.350 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 6.389 11.289 15.372 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 -1.301 6.277 -0.451 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 -0.588 -6.362 -7.159 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 6.097 -1.137 0.730 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 4.658 0.538 -0.370 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 -28.122 18.492 -11.817 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 0.697 -13.051 -2.167 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 7.629 -4.785 1.915 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 7.727 -16.865 2.718 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 12.589 -7.499 -9.245 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 -3.457 0.710 -2.813 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 -1.766 -10.634 -5.384 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 -4.088 -15.379 -3.991 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 -1.518 -0.356 1.146 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 8.881 -24.586 -1.135 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 -18.740 7.902 -7.518 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 3.096 4.951 -2.204 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 -3.250 11.390 17.070 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 -21.460 -4.778 -17.912 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 -7.325 -5.180 7.084 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 2.195 -19.221 -6.982 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 7.886 11.588 -11.536 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 -2.922 -2.701 0.135 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 14.533 -27.085 -10.279 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 -2.731 -10.931 -15.512 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 0.262 -5.429 -2.025 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 -0.808 22.075 15.698 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 3.933 -26.979 -25.382 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 0.207 -7.933 -0.821 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 5.718 -19.251 2.114 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 -15.188 -16.976 -1.073 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 -3.193 -8.861 1.223 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 -2.127 -13.230 -5.753 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 9.679 8.866 4.929 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 2.238 10.389 -0.812 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 -3.481 -3.794 -2.338 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 -6.183 22.678 0.444 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 0.685 -1.939 0.010 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 -6.921 -12.925 -11.195 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 5.173 -14.649 -1.013 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 4.106 2.840 5.230 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 0.394 -3.800 -14.245 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 -16.970 -5.779 12.914 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 -0.803 -4.420 5.645 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 -10.460 5.886 4.049 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 -7.825 4.817 -4.875 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 3.097 3.604 -1.679 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 0.451 4.674 -19.024 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 15.748 15.834 2.115 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 1.795 -6.826 1.590 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 -8.794 -16.979 10.506 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 -5.038 9.018 -8.911 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 -3.735 0.866 -1.385 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 9.172 -11.032 6.858 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 5.497 -3.903 3.510 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 4.670 0.891 2.798 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 1.476 0.393 4.568 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 11.410 -12.647 5.517 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 -4.357 1.999 -9.432 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 7.323 -2.884 -0.894 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 -0.419 0.242 -6.810 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 -5.256 -1.631 0.527 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 9.735 -2.196 -13.025 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 -5.934 29.804 9.008 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 -4.277 4.749 -3.939 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 -18.720 2.841 -19.140 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 17.620 -0.875 -9.917 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 -0.077 0.060 -0.741 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 -1.680 -0.700 -1.754 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 -1.569 2.117 -0.527 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 -3.162 2.327 -11.681 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 -2.238 10.923 -3.075 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 -6.042 1.004 -17.746 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 0.351 2.697 1.373 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 -14.139 2.264 17.483 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 -5.066 20.427 -9.411 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 2.086 1.368 -5.480 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 -13.452 24.174 -1.947 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 -13.323 -25.515 -23.134 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 -2.526 2.299 -4.461 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 -5.014 -12.822 6.206 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 10.150 4.084 14.610 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 0.387 -3.471 1.549 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 -8.161 1.153 -6.901 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 -2.444 -5.759 5.106 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 1.345 -1.855 7.616 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 20.080 5.073 4.593 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 -29.701 -9.814 13.154 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 -0.501 -2.774 -8.204 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 -7.709 -21.895 2.913 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 -18.425 8.388 -14.312 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 -1.204 -0.354 1.860 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 7.196 -6.086 0.549 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 -18.955 13.468 10.173 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 6.847 4.846 -3.981 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 0.565 -3.123 6.434 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 -2.589 17.163 -5.168 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 1.475 -2.712 -4.688 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 9.550 -1.525 0.477 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 -2.401 -2.303 -6.355 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 0.209 0.760 6.277 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 5.471 1.512 12.767 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 -3.094 1.703 2.883 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 1.534 0.014 2.785 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 -3.972 0.357 -1.810 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 -26.270 2.649 -0.915 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 -0.165 0.373 2.693 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 -20.855 13.943 15.268 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 1.079 -4.950 -22.138 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 -0.044 -3.527 -1.127 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 13.977 13.775 -2.372 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 21.846 22.447 3.847 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 1.097 -2.266 2.955 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 -3.703 -1.592 2.179 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 -15.653 -1.171 -2.740 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 1.037 2.864 2.957 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 17.412 1.821 0.819 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 -6.225 1.274 2.919 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 5.230 -6.537 -2.099 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 28.997 -9.133 -8.007 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 11.905 -9.968 -8.964 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 -6.810 4.008 -1.949 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 8.098 5.571 1.952 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 -13.625 -4.340 14.976 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 -0.555 6.307 -5.764 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 21.180 13.945 2.796 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 -13.505 -5.231 -18.386 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 -3.234 1.847 -2.869 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 15.829 -6.588 -15.996 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 4.203 -0.944 -2.721 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 -0.557 4.733 0.724 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 -11.118 -5.211 0.776 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 4.356 11.727 -5.520 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 -2.014 -3.548 -1.706 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 38.981 -16.262 6.924 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 16.772 6.808 1.750 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 3.466 -0.408 1.243 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 0.189 -6.968 7.177 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 -4.433 -13.420 15.890 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 -0.629 6.403 -0.006 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 14.182 3.973 17.393 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 18.782 -15.081 9.761 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 -4.217 -6.320 -5.531 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 17.351 32.929 -16.409 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 -3.924 15.432 3.676 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 -1.903 2.339 -13.316 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 5.133 12.342 0.517 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 22.316 -5.177 -17.161 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 2.031 -1.191 4.370 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 -5.740 -12.456 6.366 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 13.075 5.618 -8.563 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 -3.101 4.245 -2.729 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 7.792 -0.088 -12.839 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 -0.453 1.743 -4.079 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 1.744 0.808 6.102 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 -24.999 45.280 -16.374 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 -10.880 2.143 -11.446 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 4.341 -1.176 2.111 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 16.770 8.480 -14.728 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 -16.928 -13.932 12.718 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 -9.555 2.573 3.689 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 -14.219 2.372 1.028 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 -2.935 -2.328 9.320 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 -4.949 -7.201 -3.427 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 -9.158 -12.470 -5.303 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 0.450 -4.036 0.482 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 3.248 1.846 0.582 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 2.779 9.442 3.836 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 3.586 -0.577 -0.036 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 -5.914 4.671 -7.510 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 -5.127 -5.177 12.351 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 -8.730 -9.421 -22.286 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 4.535 -1.029 -10.350 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 3.736 1.370 9.182 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 14.900 4.765 -3.667 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 0.290 -3.242 -1.322 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 -4.290 4.772 -11.803 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 4.562 1.049 11.403 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 2.174 -2.656 -3.986 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 8.623 -14.717 18.020 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 -2.195 -18.466 -23.364 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 -6.143 0.856 -0.175 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 14.001 -11.574 4.554 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 4.259 -0.538 4.011 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 1.919 0.030 3.160 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 8.190 10.016 0.872 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 7.662 15.560 2.883 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 -4.190 -1.444 -4.728 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 2.854 2.803 -6.631 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 -6.871 -5.311 -7.217 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 0.703 4.450 1.307 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 -8.302 16.508 11.897 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 -4.690 11.273 7.660 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 0.038 -0.190 -6.697 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 13.814 -5.453 5.549 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 -7.085 -18.392 -13.188 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 0.390 1.159 -0.352 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 3.012 14.490 -15.348 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 -1.278 -1.458 2.396 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 3.856 -3.185 -0.917 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 6.036 -11.274 -3.595 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 32.452 -7.503 -3.193 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 -2.226 5.173 1.183 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 -3.062 8.090 -7.663 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 3.913 4.924 5.940 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 -2.244 0.610 3.692 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 14.960 14.419 4.084 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 -2.575 -24.152 19.659 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 5.198 -8.200 -9.355 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 11.303 -10.138 -10.879 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 -23.455 -4.760 -0.765 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 1.683 3.442 6.741 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 -23.448 3.981 9.329 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 5.499 -3.205 -17.705 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 4.392 -0.518 3.837 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 20.870 -7.009 -18.808 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 -19.629 8.395 -1.192 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 3.857 -5.595 -4.282 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 3.890 -3.974 -15.962 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 19.221 -7.597 -16.642 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 0.884 -4.225 -3.276 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 -1.311 -13.982 26.610 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 4.131 -5.945 -15.463 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 -3.154 -4.850 -2.879 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 -0.829 -6.932 -20.043 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 -2.545 -7.073 11.454 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 -7.095 4.891 1.672 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 -5.622 8.682 7.186 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 -2.684 8.306 8.964 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 -2.341 -5.100 4.303 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 -8.390 -6.073 22.165 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 -9.455 -18.040 -13.312 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 0.608 -5.250 1.366 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 -1.832 -16.742 4.339 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 1.950 -3.767 10.920 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 -5.981 -6.222 3.224 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 2.100 -6.481 -2.913 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 -9.173 -0.520 -11.851 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 -1.816 -2.882 2.747 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 -34.188 28.195 -5.106 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 -8.332 -24.464 5.291 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 8.147 -3.055 -0.619 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 -15.356 -2.209 -7.937 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 -0.825 16.258 1.800 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 -1.578 2.119 -4.679 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 -3.371 28.203 -26.464 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 -2.418 -8.613 5.931 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 -2.338 5.528 -4.007 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 5.249 -8.221 6.861 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 -27.165 2.370 -13.260 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 2.625 8.030 3.000 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 23.203 25.098 -2.717 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 3.222 -9.233 8.422 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 4.093 0.729 2.703 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 -0.712 -1.786 7.430 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 2.150 -0.909 -17.014 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 0.038 -2.305 -4.891 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 -5.266 -0.283 0.236 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 -4.224 21.410 -44.009 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 -1.241 -0.612 4.375 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 10.765 -8.574 -7.295 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 1.495 -5.069 -1.057 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 0.845 -1.476 -6.081 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 12.321 -2.731 -8.096 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 1.048 5.490 -18.994 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 -3.954 1.561 0.380 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 1.550 -1.398 -7.911 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 6.637 -6.055 -10.989 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 -5.966 5.241 2.731 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 5.456 0.799 -5.537 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 -1.366 4.869 -6.171 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 1.099 3.259 -2.251 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 -13.288 35.383 6.967 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 -3.007 -8.269 3.861 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 -0.191 0.648 -6.789 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 -1.734 -18.841 3.616 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 -2.306 7.260 -8.558 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 0.727 2.515 6.482 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 -1.551 4.894 17.009 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 -3.512 10.356 7.558 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 2.110 -7.399 3.048 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 9.714 -32.250 -5.799 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 22.622 4.493 18.163 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 -7.618 -5.679 -4.605 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 -25.374 -15.735 0.004 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 7.674 4.858 -10.188 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 2.052 -2.718 6.822 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 0.062 -4.948 8.353 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 0.892 -4.769 7.877 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 -4.755 5.715 1.279 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 14.821 -7.614 1.545 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 -4.812 4.076 -4.780 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 -0.216 -1.086 -2.606 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 -15.857 21.656 -19.417 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 3.724 21.923 -6.970 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 -3.121 -2.004 0.082 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 5.932 -7.048 1.085 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 6.267 -4.568 2.723 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 -4.697 -6.160 -3.985 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 7.696 -11.431 -8.193 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 0.562 -5.487 0.275 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 2.550 7.147 3.612 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 -3.251 8.139 -2.672 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 7.525 5.556 -5.303 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 -2.744 -3.602 -0.329 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 8.416 -6.966 9.287 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 1.744 31.464 -6.236 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 -5.620 6.192 -6.516 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 13.350 -7.035 -18.355 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 -7.148 -7.695 -6.077 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 -5.093 1.059 1.474 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 24.280 14.121 -1.163 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 26.034 13.777 -3.845 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 0.497 5.984 2.967 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 -24.618 13.380 11.996 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 6.587 -2.345 2.604 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 8.439 -1.166 -8.802 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 18.512 12.747 -2.069 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 1.926 1.454 12.370 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 2.401 2.335 2.670 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 -20.809 -7.360 -0.161 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 15.786 -11.926 7.459 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 -4.195 -1.296 5.014 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 -4.200 -0.029 25.335 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 -10.138 0.996 -2.308 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 2.968 9.250 -1.718 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 -8.945 7.633 5.958 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 15.256 12.113 15.890 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 2.827 -6.780 -1.979 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 4.277 -10.820 -7.201 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 -3.858 -15.793 -13.002 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 3.389 3.019 3.581 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 1.330 1.633 -4.284 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 11.409 14.718 25.910 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 1.042 -6.178 -1.849 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 2.393 -18.208 3.344 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 8.799 -15.738 -8.190 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 0.797 -5.128 4.437 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 -7.962 -11.260 8.538 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 2.700 4.854 12.968 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 0.209 -0.179 -2.817 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 -5.974 7.221 11.193 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 -3.076 8.016 -1.770 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 1.207 -1.121 0.589 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 6.933 1.396 -15.958 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 -19.897 7.710 1.654 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 1.967 1.268 5.811 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 -20.400 -14.827 -15.728 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 0.047 -15.536 -32.425 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 0.003 9.357 3.498 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 12.066 -12.767 2.404 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 -5.664 -13.948 -19.382 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 -5.309 4.086 -5.773 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 27.479 -20.027 10.359 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 -29.187 4.674 14.556 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 -3.665 2.103 1.101 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 2.831 -10.102 15.293 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 13.259 7.883 -6.223 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 2.438 4.524 0.303 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 6.144 9.691 -11.290 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 10.507 8.869 -17.726 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 -2.357 7.289 -2.863 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 -11.130 2.367 4.765 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 -2.650 9.592 -4.887 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 -2.659 -1.103 -5.699 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 -10.191 22.627 16.946 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 -27.795 -16.692 -13.756 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 3.826 -1.158 -1.450 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 -2.039 -13.979 4.082 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 -4.216 8.165 -10.658 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 7.664 7.272 -2.844 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 3.806 2.134 -15.093 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 -7.114 15.501 -18.991 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 -0.565 2.482 2.372 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 -5.590 -9.312 -8.835 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 3.382 -4.417 1.593 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 0.516 0.344 -2.681 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 14.803 -35.834 10.626 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 -25.267 -4.152 2.906 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 -0.479 -8.864 1.768 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 -45.141 -27.049 -16.184 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 -9.202 8.148 15.754 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 -1.305 -8.734 0.167 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 19.278 -7.988 -9.838 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 9.354 -0.701 -7.793 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 4.868 -3.301 -4.941 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 3.306 -0.786 -10.597 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 11.427 -1.847 2.967 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 2.420 6.020 -5.535 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 2.901 -7.986 -8.993 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 -10.799 9.561 0.062 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 -0.336 -4.396 -0.202 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 -9.852 7.487 -10.472 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 9.448 -15.837 8.884 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 -2.199 1.885 -1.562 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 -5.928 -4.538 -6.330 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 5.071 8.496 10.718 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 -4.074 -0.263 -2.523 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 -9.639 15.744 22.170 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 5.626 -9.852 -12.483 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 -2.021 -1.002 5.786 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 -25.769 -35.053 -10.389 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 -15.349 37.985 -4.139 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 -2.870 0.157 -4.298 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 -6.691 19.968 4.478 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 -6.276 5.201 0.447 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 -4.878 0.790 6.143 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 -16.028 -0.850 6.841 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 -17.312 2.576 -1.811 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 2.532 -4.414 5.694 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 -14.080 13.040 12.865 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 -23.674 -8.944 -1.496 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 0.464 7.267 -3.961 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 23.616 6.516 -8.594 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 15.882 3.926 15.478 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 -4.235 3.010 0.260 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 -16.058 -1.761 4.749 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 -13.010 -7.845 4.737 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 1.145 2.621 -5.378 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 4.306 0.806 -8.652 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 0.897 7.775 -6.695 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 -4.041 -0.231 -8.323 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 0.017 -3.202 -8.351 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 -12.016 -6.916 1.142 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 10.733 0.446 2.527 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 16.312 10.970 -9.839 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 -11.245 6.012 12.915 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 -1.422 3.344 1.225 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 -10.822 0.503 13.168 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 -10.692 -10.626 34.522 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 -2.097 -3.906 -3.629 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 -9.436 1.374 16.559 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 -2.359 -5.416 -3.586 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 4.366 0.126 -6.371 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 -15.028 -6.363 8.229 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 3.340 20.029 0.301 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 1.974 -2.012 -6.866 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 -21.682 -7.878 12.589 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 -6.112 1.039 0.246 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 -5.804 0.548 -10.949 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 -36.712 -1.789 -15.438 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 -12.497 -1.598 -27.863 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 4.100 -1.112 -4.837 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 -20.978 6.771 29.933 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 -3.318 -16.326 18.133 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 -6.559 -5.940 -8.863 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 -10.392 -6.278 14.838 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 13.133 -19.814 -13.362 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 2.964 -6.601 -4.672 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 20.771 3.506 -2.718 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 16.988 -10.123 19.077 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 -1.475 4.639 -2.370 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 4.635 17.357 -7.679 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 8.194 1.552 9.267 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 0.998 2.816 -9.640 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 -1.821 -0.817 -17.837 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 2.874 -0.674 -13.641 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 -1.213 -5.274 -5.174 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 -18.984 -6.949 1.156 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 -6.298 6.135 -28.781 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 -0.511 4.447 -2.774 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 4.932 4.309 20.994 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 -19.685 15.533 -7.757 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 -8.687 -2.415 -0.541 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 22.883 -6.642 -10.580 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 -24.260 18.582 -16.600 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 -0.168 -0.254 -1.591 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 7.801 -27.760 -12.716 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 23.853 -25.384 -6.684 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 -6.004 2.750 0.321 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 -4.586 1.653 -7.296 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 -5.525 -15.262 -36.818 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 1.564 4.409 -8.597 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 8.969 10.372 -6.191 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 5.148 -5.332 -7.867 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 -2.068 -4.984 -3.366 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 -11.225 -2.200 -10.631 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 1.673 -13.797 -6.338 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 -3.807 2.983 -1.038 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 26.787 -21.721 14.208 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 -18.234 -32.308 -13.525 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 4.264 -0.882 7.050 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 15.852 1.652 3.668 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 -6.531 -7.069 -4.795 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 -1.567 5.246 -0.179 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 -11.071 7.879 4.684 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 24.091 5.629 0.285 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 3.683 -4.898 -4.840 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 18.584 -27.412 -0.176 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 -9.044 8.467 -8.791 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 3.076 -4.189 -2.258 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 20.339 -2.294 7.479 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 -7.944 16.246 1.204 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 -2.438 -3.564 -1.382 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 12.942 13.096 7.822 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 -19.963 -5.792 7.924 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 -2.334 -0.692 -1.394 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 20.547 16.660 14.987 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 -1.685 -7.838 -28.614 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 5.140 3.069 3.076 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 -11.761 1.172 -7.661 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 -12.162 -11.467 -27.709 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 -1.552 -1.555 4.786 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 16.728 11.544 14.706 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 -6.863 -4.104 -15.913 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 6.778 -9.073 -5.313 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 7.716 -0.878 -10.316 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 -18.002 5.619 9.463 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 1.839 -5.049 -0.022 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 5.754 -5.384 -2.007 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 5.828 -6.861 -3.469 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 -10.912 -7.946 0.598 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 19.489 24.663 -9.730 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 -6.415 3.394 13.441 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 0.760 -4.749 -3.321 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 -3.331 -14.619 -11.701 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 -5.260 -6.425 7.678 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 6.393 -1.813 4.189 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 -7.422 -4.301 -6.571 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 16.097 7.912 0.433 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 3.888 2.175 -0.458 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 -4.714 6.671 -5.413 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 35.549 -5.180 14.985 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 1.282 -7.265 4.483 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 -7.180 -13.514 -6.601 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 -29.077 -5.006 5.173 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 4.889 2.118 5.599 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 -6.642 -14.605 1.440 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 -20.727 2.469 -6.587 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 -7.262 -4.739 1.851 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 -6.991 -17.555 -2.099 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 -20.084 1.569 11.138 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 5.224 -2.918 -4.637 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 8.596 -16.986 -1.886 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 -21.577 -27.421 -6.429 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 5.086 1.800 -2.225 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 -6.180 -0.702 6.302 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 4.539 20.114 -0.951 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 5.388 -1.841 -3.276 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 -14.363 -7.394 -3.922 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 -7.748 0.458 15.597 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 4.399 -0.073 -3.548 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 3.037 5.420 -5.349 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 6.982 -3.907 -4.927 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 -4.668 -4.939 -1.003 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 9.949 -3.782 -26.993 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 0.258 24.415 -12.479 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 -5.412 6.228 0.544 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 -10.477 17.336 5.024 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 -1.441 -0.987 -2.260 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 -7.220 -0.625 -0.189 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 5.136 -23.236 22.481 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 10.938 28.647 4.390 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 0.050 2.419 -2.375 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 10.862 2.550 5.741 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 -19.860 -1.808 15.253 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 -3.972 -4.643 0.928 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 -26.962 -28.225 8.940 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 17.644 -25.668 -17.595 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 -2.530 3.298 4.652 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 -8.973 7.656 6.606 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 -6.838 6.114 5.960 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 -7.509 0.546 -7.754 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 -23.952 7.475 -2.770 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 -6.411 -13.905 -6.099 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 4.803 1.090 3.886 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 -5.749 12.264 -15.146 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 -7.807 10.814 -22.071 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 -3.080 2.277 0.125 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 -19.825 9.135 -0.302 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 8.810 -8.212 -12.015 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 -5.831 -5.311 2.510 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 -2.829 -3.455 14.519 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 -8.412 -6.489 -29.637 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 2.540 2.376 -0.534 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 19.054 17.893 -15.541 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 -1.893 13.074 12.897 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 -0.318 -4.205 1.091 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 -9.623 -23.354 14.023 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 -9.729 2.465 -4.012 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 -6.453 -1.465 4.798 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 -6.990 -7.216 -1.546 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 -15.730 5.717 -8.466 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 -1.596 5.601 -2.146 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 -0.632 11.997 -3.158 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 0.581 -11.895 5.365 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 -1.039 -1.719 3.452 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 0.468 -14.032 5.562 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 -4.337 10.420 7.520 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 -4.315 1.800 -9.073 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 -11.578 0.110 -22.154 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 5.019 4.111 -15.984 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 0.785 4.049 -0.548 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 12.080 -0.925 -0.276 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 -4.000 0.232 6.224 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 3.500 -0.999 7.655 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 7.123 9.216 1.930 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 6.971 -4.906 -6.293 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 6.833 -5.621 3.605 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 14.224 -0.808 -7.460 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 23.622 -13.613 9.837 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 -6.239 -0.391 1.537 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 0.354 6.407 6.923 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 -16.569 -14.252 10.253 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 -3.753 5.113 -0.287 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 17.903 -17.056 -19.152 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 0.581 21.124 18.034 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 5.920 0.596 3.218 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 -21.307 11.256 4.191 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 10.536 17.560 -18.371 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 -4.468 -3.366 5.397 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 -4.329 -3.106 4.588 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 -14.440 11.716 18.632 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 0.840 1.974 6.459 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 -4.419 -4.791 6.595 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 -28.053 -7.928 -15.238 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 -4.511 2.154 -0.170 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 -18.890 20.251 2.807 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 8.713 -11.430 -5.426 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 -4.780 -2.840 4.097 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 -0.658 9.982 -1.249 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 -10.425 -1.266 5.942 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 -0.603 -1.270 -4.370 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 -8.502 -1.822 -17.227 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 6.101 -3.893 4.186 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 -2.237 -1.374 -3.518 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 0.061 5.517 3.159 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 -0.201 -5.950 -3.494 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 3.399 1.330 1.405 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 -24.023 -4.668 7.997 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 -3.483 -1.103 18.551 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 -2.040 4.589 -0.562 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 4.851 -26.236 5.392 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 -22.319 25.402 -18.847 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 -2.306 0.050 0.731 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 -8.252 -9.416 -11.439 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 19.248 9.810 -16.938 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 -0.050 6.343 8.121 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 -15.655 -10.935 33.169 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 -23.114 -13.624 19.009 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 0.154 2.367 -1.392 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 -18.057 9.076 -1.388 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 -1.384 2.968 7.070 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 -0.776 2.652 7.597 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 -11.897 -24.857 1.446 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 -16.504 -20.202 -7.911 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 -2.217 4.487 0.803 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 -4.289 12.645 -2.440 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 1.424 -5.038 -15.439 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 6.080 -5.134 0.942 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 27.661 -11.403 -2.099 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 5.543 11.401 10.737 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 2.678 1.358 8.519 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 27.599 -9.129 51.000 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 7.946 -2.685 15.520 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 -4.403 -2.501 9.230 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 -0.500 -10.659 -29.971 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 -12.854 -10.549 11.571 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 1.342 1.547 -5.286 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 0.300 -19.134 0.286 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 2.940 8.016 -10.783 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 2.513 -9.334 -5.357 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 -3.465 -2.215 1.358 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 -8.361 3.265 7.489 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 0.171 -1.115 -1.276 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 -15.121 -25.024 -4.310 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 -17.398 3.704 1.288 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 -1.481 -3.257 -3.548 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 -7.640 -15.738 10.266 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 4.744 5.336 -11.431 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 2.034 0.962 -5.091 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 11.951 -2.179 -7.415 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 -6.291 -5.018 -0.974 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 4.868 -1.390 0.650 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 3.199 6.284 1.752 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 -0.020 7.249 -5.794 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 -2.264 -0.794 1.349 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 -4.042 -1.921 0.809 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 -2.765 -14.611 -6.810 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 -4.058 1.051 -1.768 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 25.677 14.476 3.825 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 -6.634 -1.111 -0.326 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 6.576 -0.627 -0.166 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 -19.026 -20.190 7.406 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 -7.859 -26.980 10.543 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 0.387 -1.424 3.592 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 1.047 1.250 -3.210 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 6.602 13.714 -18.535 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 -2.072 -2.253 -0.159 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 3.111 10.980 6.645 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 4.434 -3.360 -3.391 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 -0.624 10.245 10.924 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 -4.770 9.032 9.199 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 -7.234 -31.440 -17.064 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 0.126 -0.704 -5.845 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 13.076 -10.655 -2.220 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 11.086 -7.460 -14.491 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 -3.916 0.632 4.012 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 -10.576 -0.276 -1.238 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 13.620 -8.783 16.455 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 2.653 -4.762 1.090 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 2.289 25.002 7.227 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 4.048 -6.582 -7.570 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 0.085 -7.954 2.931 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 4.749 -7.858 3.798 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 -2.013 -7.033 -1.114 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 -3.203 -1.214 -3.497 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 5.289 -4.189 11.483 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 5.545 1.937 -0.003 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 1.819 -2.477 0.502 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 -0.651 -25.898 2.389 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 -3.108 -1.503 -7.887 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 1.847 -2.057 -2.196 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 -14.262 2.920 -10.221 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 1.393 -0.400 -3.097 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 -10.369 -1.657 -2.307 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 4.886 -17.808 5.462 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 -3.833 -10.881 5.542 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 -5.000 0.903 2.977 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 11.925 -9.765 19.891 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 38.030 16.142 -0.346 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 0.448 3.280 7.895 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 2.049 51.818 31.731 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 17.198 10.342 15.393 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 2.512 1.672 3.568 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 -12.636 1.084 -4.955 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 -2.921 0.280 1.433 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 0.854 -2.837 2.269 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 7.119 32.047 0.775 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 -2.133 -10.903 -10.012 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 4.601 3.051 5.291 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 12.093 -4.404 -9.991 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 20.102 23.636 2.225 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 0.038 -1.718 -7.884 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 5.947 0.333 -11.036 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 -8.734 -3.386 -4.692 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 -6.010 -3.073 0.667 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 9.572 12.641 -12.951 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 -20.781 -0.016 -19.267 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 4.985 3.784 -0.073 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 3.321 3.651 -2.032 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 6.241 2.759 1.189 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 -2.039 0.631 -4.323 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 0.256 6.469 -3.389 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 -20.689 5.204 -3.602 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 -7.086 -4.100 0.148 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 -7.674 15.724 28.463 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 -3.537 11.126 -1.603 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 -6.092 -0.273 1.436 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 -0.496 3.836 -2.709 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 -5.903 11.908 -6.698 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 -4.364 -5.515 -0.505 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 -14.767 -1.245 -3.248 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 -11.842 -20.711 3.799 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 3.314 3.475 7.151 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 -10.810 -12.843 5.865 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 21.430 21.833 -2.748 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 2.000 2.175 -6.554 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 -10.277 -1.395 -12.652 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 8.915 -16.089 -6.302 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 8.611 0.275 2.098 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 27.098 16.088 -8.257 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 9.738 1.899 -1.578 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 -6.188 4.403 1.486 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 -5.012 4.419 -6.343 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 14.432 -23.988 0.073 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 6.069 -2.537 0.562 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 -16.573 -8.697 16.323 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 12.563 19.132 10.935 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 2.306 -1.351 1.808 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 -0.968 -6.276 -14.130 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 8.054 2.538 20.570 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 0.507 -3.327 0.463 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 12.220 11.459 -14.171 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 0.455 -10.463 8.911 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 1.901 -4.972 4.107 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 -13.818 43.733 7.813 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 7.635 20.344 22.821 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 1.973 4.830 -1.107 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 3.530 5.260 7.621 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 -1.681 -6.858 -8.201 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 0.703 -4.636 -3.083 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 -2.334 -3.813 5.806 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 -5.325 -1.282 -2.733 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 -0.058 2.399 0.173 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 12.711 4.736 -21.168 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 18.930 8.559 39.377 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 -3.605 5.244 6.090 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 -4.402 5.053 6.006 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 -9.414 13.928 -2.585 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 2.466 -1.328 -1.053 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 2.736 -14.137 -5.803 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 -8.530 0.335 7.403 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 1.378 -1.358 0.642 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 18.550 2.751 -9.886 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 0.651 1.329 13.046 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 -0.805 1.931 -9.250 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 -25.840 0.614 -1.510 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 7.733 7.826 15.244 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 -6.021 2.106 -1.075 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 -25.014 8.937 21.891 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 1.764 -11.267 -10.308 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 -2.719 -3.527 -1.911 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 0.675 8.763 10.683 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 -13.167 -5.211 -9.925 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 -2.584 -0.663 6.093 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 -7.889 12.167 2.238 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 -6.401 -10.731 32.152 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 -7.877 -2.101 0.848 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 -6.638 0.753 1.279 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 -6.267 -6.233 -18.626 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 2.933 -2.651 -2.888 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 -12.493 9.309 0.630 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 6.523 -1.113 9.128 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 0.869 -4.143 0.834 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 5.889 -13.962 -8.680 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 -5.181 6.962 8.511 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 2.425 4.312 -4.478 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 -6.621 23.029 -12.595 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 7.038 0.949 -2.394 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 -1.305 -4.893 4.391 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 -11.959 -5.367 -11.625 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 13.681 6.403 -0.734 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 2.268 -11.981 4.541 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 4.266 -0.411 -29.196 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 1.379 -7.048 1.994 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 0.212 -5.697 3.809 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 -12.318 -19.055 6.185 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 -21.287 1.039 -0.256 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 2.947 0.049 -2.327 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 18.842 -2.504 -5.667 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 -1.495 -2.241 -1.402 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 7.025 -0.163 0.188 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 -7.094 4.742 -5.044 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 13.243 -29.098 -5.500 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 -3.784 0.540 1.397 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 4.021 0.891 -10.153 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 -4.490 -12.202 6.406 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 -1.741 -4.840 -6.456 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 -20.044 -11.482 -26.035 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 -14.098 -6.491 -8.785 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 0.385 2.552 4.222 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 -20.106 25.089 -18.460 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 -11.639 27.201 21.195 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 -4.605 -2.925 -6.392 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 0.547 -17.590 -1.610 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 -4.775 -7.115 -7.892 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 2.787 -0.326 -1.407 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 6.323 11.027 -14.860 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 6.414 12.318 -2.177 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 0.819 5.032 1.778 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 0.279 2.105 5.103 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 -14.945 22.386 -7.804 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 2.445 2.341 -5.139 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 16.947 17.245 8.562 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 -7.905 -6.259 16.151 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 -0.859 0.438 1.691 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 6.071 7.916 -4.404 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 9.129 2.308 2.074 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 1.123 0.593 -6.386 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 7.158 -9.781 13.228 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 14.677 19.105 -9.094 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 1.974 -1.160 5.082 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 -22.610 -4.236 -8.705 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 2.125 -67.227 18.846 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 -13.218 3.669 -5.229 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 -18.372 1.168 -0.080 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 7.048 -9.876 24.035 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 -6.211 3.049 -1.542 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 0.871 6.800 0.296 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 -10.451 17.363 5.180 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 1.286 4.300 0.276 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 -6.487 4.499 2.608 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 -18.064 -10.333 -1.910 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 -5.107 -2.498 2.114 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 -5.629 0.069 1.585 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 -1.900 -3.854 -3.356 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 0.497 0.548 -1.603 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 -20.509 10.429 -26.439 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 -21.165 15.030 -24.616 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 -1.763 -1.228 -2.114 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 20.820 23.544 -37.762 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 16.885 -22.468 14.285 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 0.575 0.902 1.652 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 7.752 -0.535 4.530 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 -21.533 3.964 6.432 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 1.167 3.578 -4.325 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 -5.993 -7.761 21.507 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 -2.531 -1.052 7.092 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 1.469 -0.939 -0.342 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 0.986 -24.971 -2.147 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 -8.568 19.852 -0.902 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 -0.154 1.918 -0.217 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 -3.703 -4.449 17.750 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 -0.219 2.064 -11.779 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 -1.711 1.898 7.724 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 -4.799 14.753 12.241 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 13.474 -8.887 -16.729 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 2.252 1.978 2.176 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 -0.642 5.376 -11.212 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 30.379 -3.337 4.406 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 4.474 1.049 -5.217 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 -0.448 -2.350 6.274 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 9.070 9.313 -15.244 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 0.787 -6.493 2.847 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 -16.335 -16.683 5.485 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 13.576 1.453 3.148 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 -10.621 -0.857 5.436 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 -7.524 -9.921 15.639 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 -6.452 -12.214 5.319 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 7.594 8.287 -4.547 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 8.314 7.225 11.557 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 12.618 13.720 -9.197 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 1.324 -0.597 -5.636 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 15.077 0.251 -3.486 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 -23.770 6.559 16.940 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 0.055 0.106 1.031 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 -20.004 -4.336 27.712 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 -3.204 -3.191 -17.698 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 0.963 0.079 -3.112 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 17.405 -12.432 -6.911 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 3.180 -2.974 -9.692 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 0.177 1.436 -1.274 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 19.686 1.212 25.168 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 -25.437 -8.418 21.629 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 -1.566 -2.544 -3.080 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 6.445 -4.273 22.480 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 10.244 -16.868 -7.050 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 3.327 1.539 3.103 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 19.685 8.574 13.657 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 11.835 -5.746 14.678 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 0.342 -0.548 2.174 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 -11.287 -12.358 -6.095 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 11.956 3.095 12.569 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 -0.108 0.554 0.889 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 -18.625 19.455 14.889 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 18.577 -18.677 -13.146 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 0.732 4.310 -5.494 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 15.028 -1.997 13.748 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 -8.157 3.716 2.287 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 -3.008 0.708 5.078 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 -29.421 -27.537 0.811 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 0.640 -5.487 16.610 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 0.119 3.749 1.391 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 -1.523 -14.543 10.927 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 14.989 -1.558 -9.543 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 -1.086 3.004 1.391 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 7.772 -15.177 4.088 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 -13.039 0.379 2.633 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 0.353 -1.925 -5.419 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 -1.980 20.171 -10.752 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 -3.234 3.868 23.825 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 -2.673 -2.338 2.081 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 -1.489 -4.070 2.554 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 -0.373 -0.390 2.982 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 -2.658 -3.359 -2.792 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 -15.126 -7.166 0.281 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 -3.962 -3.731 -20.198 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 7.556 -2.774 1.925 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 5.002 2.206 3.437 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 -4.426 21.299 12.179 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 1.000 1.661 -0.165 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 6.539 8.791 -2.359 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 6.164 5.693 -0.529 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 -3.875 5.944 1.571 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 -13.153 13.698 5.574 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 4.226 -2.096 23.757 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 0.417 -3.637 4.450 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 16.476 -0.460 14.519 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 -13.634 19.740 17.305 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 -1.841 0.316 3.230 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 3.778 -0.585 -1.198 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 -7.080 0.674 -1.855 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 0.080 6.089 3.130 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 -12.626 -1.190 -8.463 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 17.619 4.788 -6.929 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 -5.528 4.735 -5.167 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 7.661 -8.199 -11.707 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 -21.964 -0.119 -10.624 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 8.986 1.086 3.821 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 7.737 0.146 13.590 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 1.864 6.135 15.376 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 0.056 0.981 -0.305 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 -5.946 3.385 -20.671 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 10.424 -7.009 -1.076 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 -0.229 1.873 -1.238 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 9.366 10.746 14.155 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 -14.994 15.252 -6.545 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 1.448 2.938 3.259 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 20.740 -10.629 -0.187 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 -2.829 -1.074 -10.244 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 -2.542 1.212 4.888 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 -11.272 -7.985 -17.694 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 2.400 6.063 2.419 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 -3.553 0.526 -5.243 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 -9.380 7.825 -16.536 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 -8.902 7.832 -13.048 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 -2.150 -1.803 -2.561 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 -10.990 -1.481 5.253 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 1.702 1.625 -9.807 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 1.707 -4.611 4.863 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 6.248 -1.169 -4.977 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 27.051 -1.261 5.824 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 0.313 -2.347 -3.631 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 -0.321 23.892 -3.926 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 1.028 -2.242 -3.202 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 -2.126 1.563 4.833 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 7.437 -5.367 7.372 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 -3.154 0.912 3.196 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 -2.248 2.370 1.714 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 -0.669 11.969 -7.193 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 -15.710 -2.121 -1.579 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 3.094 4.282 -1.498 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 -10.615 -4.022 -0.967 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 8.667 -2.965 -17.828 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 -0.666 2.573 -7.494 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 4.159 33.410 -10.541 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 -1.970 28.006 -10.060 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 -2.190 -6.955 -6.214 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 -14.006 -2.955 10.174 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 18.732 5.356 13.450 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 -0.188 4.845 4.700 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 28.432 15.615 -10.318 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 0.788 4.185 3.229 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 -0.041 -1.005 -1.950 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 2.432 -11.497 -10.847 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 13.326 2.555 1.085 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 -0.012 0.833 6.809 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 -5.044 -23.062 -14.204 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 -9.919 0.657 21.501 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 5.724 -0.486 0.764 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 11.821 -0.061 6.711 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 7.819 4.906 -5.343 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 6.887 -0.575 1.941 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 -19.068 -34.473 -0.472 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 -14.414 -8.522 13.011 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 -6.756 -3.348 -2.190 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 6.149 10.998 7.505 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 -16.878 7.222 14.808 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 4.849 4.573 -6.826 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 -19.417 13.554 36.411 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 4.184 -0.807 -27.568 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 -6.055 -0.798 -2.851 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 -7.618 -10.129 -16.556 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 1.979 9.049 8.005 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 -3.175 -1.616 -1.822 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 -7.029 -5.329 -0.527 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 -0.816 -4.231 6.458 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 -6.899 -3.723 -4.835 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 -7.427 -9.395 -14.216 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 12.287 4.812 8.902 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 -1.275 3.309 -3.555 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 -6.861 -0.870 -3.669 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 8.665 30.050 -0.925 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 -0.082 -1.982 0.006 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 -0.505 1.865 5.611 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 5.227 1.841 -8.094 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 0.261 -1.764 4.104 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 9.274 -6.424 -6.686 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 4.013 -6.078 -12.464 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 -4.945 1.728 -2.040 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 -15.227 2.832 -1.643 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 -31.235 2.594 3.760 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 3.096 -0.212 -2.059 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 5.829 1.559 -6.969 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 10.413 -16.339 9.464 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 0.477 3.436 7.245 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 -13.733 23.017 -23.957 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 -7.469 4.969 24.481 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 -0.164 -3.026 0.472 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 15.993 -11.393 12.055 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 -18.619 6.884 -13.543 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 -6.259 -0.254 6.515 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 2.898 3.311 4.154 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 -0.076 11.371 -3.924 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 -1.256 1.531 -2.772 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 0.065 -3.987 -4.995 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 -4.060 -13.323 -13.899 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 -0.542 -2.915 -5.846 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 -23.636 8.869 -0.852 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 -4.410 -10.099 4.643 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 1.210 -0.944 7.368 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 -4.758 2.618 5.142 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 -19.333 -10.771 20.438 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 0.581 1.337 -1.014 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 12.427 4.795 9.034 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 -0.872 12.303 17.063 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 7.786 5.204 2.415 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 -3.381 -12.609 -20.191 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 -9.180 -14.126 15.717 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 4.027 -2.295 -2.117 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 10.272 -12.655 13.734 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 -22.450 -11.073 -2.108 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 0.498 -3.833 4.387 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 -2.377 17.302 -21.033 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 -1.664 -29.125 28.519 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 -2.965 -0.416 3.828 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 27.123 27.447 22.090 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 -14.350 -20.959 -16.698 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 5.075 4.942 -0.451 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 6.117 20.481 -2.866 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 -7.399 0.167 -3.797 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 -2.034 4.479 -5.062 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 -2.104 -6.159 -32.334 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 -17.207 19.313 4.875 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 -3.113 -2.360 -3.822 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 -3.372 -1.700 0.168 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 -0.481 -5.696 -2.809 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 0.183 -2.610 -1.243 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 -18.343 -1.239 -21.029 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 4.093 -17.271 26.229 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 5.237 3.482 1.487 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 7.304 -0.627 -12.656 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 11.817 5.799 12.038 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 10.255 -6.769 -2.036 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 22.512 -11.349 -10.465 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 -5.871 11.963 -1.415 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 -1.272 -2.788 0.219 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 -3.699 8.949 -4.103 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 3.011 -14.089 -8.968 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 -8.410 3.027 -0.251 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 1.702 5.421 28.445 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 -12.019 12.368 11.222 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 -5.692 1.302 -6.058 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 -14.535 16.624 4.907 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 -11.876 16.376 -7.446 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 6.986 -3.690 5.498 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 0.422 -9.665 -12.448 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 15.886 -17.288 -0.454 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 3.887 -0.214 -3.731 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 3.228 -9.080 -23.918 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 4.825 14.901 7.442 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 2.752 1.491 -1.769 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 2.411 -16.646 -2.350 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 8.641 17.634 -17.812 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 -7.589 -3.789 4.713 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 2.367 23.970 22.328 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 -16.774 -6.524 -5.468 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 4.397 4.776 -4.602 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 -4.330 -22.298 1.898 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 16.139 -11.115 -20.599 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 -3.916 -4.823 -0.885 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 -7.424 0.374 1.988 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 -2.003 -23.054 11.509 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 -4.412 4.121 -3.467 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 -5.800 -14.626 -18.534 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 13.402 0.961 -4.325 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 2.433 -3.754 3.439 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 11.508 -6.621 -4.438 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 4.943 1.017 6.265 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 6.028 -0.148 -4.151 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 3.595 4.591 -2.173 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 3.997 1.630 -6.055 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 4.839 -3.565 3.632 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 10.781 2.594 4.367 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 -0.938 -15.647 -1.089 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 -6.053 -2.734 -3.443 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 -10.860 0.901 0.074 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 4.104 3.416 -1.737 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 1.673 7.483 -1.097 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 -7.866 3.911 -11.651 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 -7.804 5.011 -1.927 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 -1.531 -0.104 -0.021 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 5.270 -0.145 -13.823 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 6.058 -6.508 12.205 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 0.802 6.808 -1.402 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 -1.476 7.468 -0.792 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 -0.497 2.496 -1.896 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 -2.158 3.459 -0.852 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 -6.572 10.184 -34.355 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 -24.399 9.342 8.579 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 4.504 0.115 1.706 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 -19.286 12.082 10.315 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 5.040 0.827 -2.402 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 4.490 -1.693 -0.998 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 0.874 2.902 2.754 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 0.809 -0.449 -3.614 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 3.648 -0.398 -1.324 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 -10.636 -3.760 22.550 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 11.793 1.777 -11.169 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 -6.299 -12.897 -0.758 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 -10.968 -7.347 -3.672 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 -24.537 -10.518 10.840 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 -1.635 3.559 2.985 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 27.576 5.548 -16.487 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 32.801 4.348 1.633 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 -4.695 -5.336 -1.138 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 -15.467 19.953 4.493 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 -10.982 -2.928 -26.220 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 -3.399 6.777 4.209 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 -27.038 -15.430 1.593 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 -19.398 -8.761 2.619 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 -3.378 3.376 -3.130 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 -12.844 9.798 -21.444 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 -9.410 3.520 12.740 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 -0.396 0.920 2.645 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 7.140 15.275 -2.556 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 -8.020 2.875 -4.671 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 -4.448 -5.573 -9.207 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 1.152 -24.060 -34.981 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 -17.958 18.736 -15.576 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 9.218 4.186 -6.852 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 30.768 18.858 -33.509 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 10.187 2.068 5.720 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 0.986 2.164 0.699 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 1.713 0.076 -2.056 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 8.420 -13.003 -8.911 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 -5.999 -1.663 1.160 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 5.337 -0.340 14.590 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 -3.997 -2.159 0.853 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 -2.093 -4.690 -5.662 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 5.690 -8.807 -5.854 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 16.393 -4.385 9.595 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 1.151 0.061 3.549 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 -15.116 -3.929 -0.605 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 4.724 11.979 19.405 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 -2.907 -0.725 -7.588 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 4.558 2.084 10.233 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 16.574 8.092 -4.268 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 -4.164 0.449 -2.832 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 -1.857 5.880 4.170 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 11.151 0.923 -15.590 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 -5.574 6.507 1.441 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 -2.229 3.011 12.257 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 -12.977 8.751 4.073 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 -3.052 4.254 2.600 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 -0.350 4.133 4.875 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 1.075 6.597 0.768 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 -0.403 1.886 5.510 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 -4.828 -3.924 11.236 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 2.936 -2.123 -0.553 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 1.584 -6.717 -0.351 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 1.696 -5.579 -17.545 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 9.301 -0.395 20.864 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 -0.413 6.052 3.116 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 -20.690 24.797 6.421 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 9.308 22.766 0.645 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 -10.072 5.788 2.755 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 3.237 16.867 5.467 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 1.050 15.699 -29.504 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 0.191 -2.347 8.823 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 4.390 -3.361 3.763 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 11.946 -12.298 2.229 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 -2.249 5.118 -0.134 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 2.439 12.813 -10.263 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 -7.339 11.607 -0.245 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 -2.104 3.117 -1.881 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 -9.667 6.620 5.189 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 -22.663 -8.874 0.798 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 -1.686 -0.485 -0.259 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 6.116 -25.791 3.779 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 -15.903 28.170 -8.972 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 1.094 -5.140 5.709 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 -7.795 -1.592 0.748 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 1.279 -8.590 1.184 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 4.672 2.978 0.466 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 11.276 -4.405 -7.162 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 -21.586 -17.920 9.890 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 2.777 9.643 -0.279 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 5.547 21.531 1.538 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 5.110 4.241 -0.598 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 4.351 6.350 -1.940 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 0.581 17.083 -10.813 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 2.980 -2.376 0.257 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 -1.734 2.171 -7.785 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 -17.447 5.873 3.899 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 5.669 9.492 -13.626 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 -1.385 -0.748 2.147 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 -3.143 14.166 -7.567 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 -3.472 13.190 -6.818 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 -1.243 2.534 -0.555 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 -15.504 -8.249 11.631 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 14.860 -1.785 28.948 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 3.863 -1.269 1.248 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 3.030 -9.189 15.257 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 6.455 15.538 4.909 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 1.653 -2.709 1.659 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 22.184 -2.439 -7.328 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 0.504 6.917 16.307 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 0.760 -3.867 3.738 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 0.285 -21.186 -1.655 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 -7.651 6.366 21.207 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 2.581 3.799 -9.718 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 10.097 -13.708 -40.794 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 -10.887 15.773 13.094 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 -3.428 0.810 10.496 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 -30.100 16.459 9.778 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 8.017 5.126 -18.247 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 1.187 4.217 0.175 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 -6.483 13.186 13.342 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 6.564 -16.658 -14.725 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 -5.369 -2.952 0.470 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 -8.388 -1.861 -1.685 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 15.279 11.125 21.004 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 -2.955 -5.904 -2.483 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 -15.942 12.676 -8.891 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 -4.480 -4.550 -5.890 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 3.669 -0.295 -3.324 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 -4.043 8.358 -16.323 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 -6.959 -9.239 4.692 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 5.451 -6.338 -3.172 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 2.890 -7.994 3.033 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 14.657 -9.184 2.229 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 -2.588 2.469 -3.218 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 3.735 -4.348 26.686 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 4.671 -15.147 -17.125 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 4.195 7.537 2.740 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 -0.094 -6.761 1.079 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 5.928 14.571 3.772 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 -6.232 -2.735 1.075 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 -17.037 16.658 6.273 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 -16.033 26.438 9.846 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 1.823 -6.601 7.433 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 22.705 13.125 9.460 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 -26.927 -35.532 -1.420 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 -0.186 1.471 -7.909 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 -11.175 -12.770 -7.110 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 -1.430 -1.628 -6.497 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 0.740 0.118 4.809 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 5.973 -3.246 13.370 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 -2.808 -9.507 -0.054 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 -5.567 -0.181 -0.970 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 -6.523 -7.605 -2.745 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 -10.943 23.844 13.610 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 -0.504 -2.993 2.393 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 -10.716 -12.999 3.701 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 13.651 7.363 -1.547 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 -0.782 2.162 0.378 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 9.139 6.586 6.564 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 11.336 8.381 13.677 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 -8.735 -3.641 2.431 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 -5.681 1.371 5.631 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 4.395 4.463 -14.344 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 0.431 1.547 -2.036 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 11.504 6.934 -0.092 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 -11.655 12.339 4.998 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 1.263 -6.481 -3.284 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 -5.667 -11.174 -12.699 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 -5.476 5.609 1.691 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 7.580 1.925 8.774 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 -1.819 -4.528 3.936 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 2.894 6.746 8.063 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 -0.895 1.083 3.004 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 6.808 27.509 -3.126 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 2.942 14.481 -0.192 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 -2.728 -3.171 2.087 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 2.980 -3.480 2.449 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 -30.320 -0.783 3.296 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 -0.742 3.522 -9.067 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 -3.746 4.732 -6.109 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 -32.762 -12.908 -16.024 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 -4.619 1.299 1.964 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 -5.194 17.764 -5.586 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 10.600 7.242 -16.637 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 3.202 -4.999 -0.281 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 -9.030 15.939 -7.703 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 -12.857 -19.469 -7.973 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 -4.537 -0.099 6.354 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 -4.007 -0.545 5.588 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 0.809 -3.389 5.695 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 1.121 1.243 5.203 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 0.456 -2.801 5.987 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 1.293 1.763 2.323 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 0.656 0.488 -5.560 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 1.945 -6.495 -7.754 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 -3.484 16.933 -3.054 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 0.769 -1.001 -1.356 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 1.422 16.852 -6.561 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 -4.727 -6.172 -6.064 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 -4.017 -1.188 2.958 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 15.323 -5.582 -14.754 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 -10.657 0.823 7.485 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 8.746 4.046 -2.600 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 -6.206 -18.054 13.254 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 33.974 13.138 -17.324 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 -2.257 1.286 -2.063 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 -21.018 12.255 -1.131 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 4.574 -3.731 -3.227 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 0.771 -5.833 4.588 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 5.478 -6.788 -2.117 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 -4.375 -15.085 11.164 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 -2.906 -6.147 0.143 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 7.895 -11.998 4.627 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 -15.686 3.290 -10.824 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 2.008 1.345 -4.025 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 -1.997 21.538 8.974 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 -1.820 -18.964 -21.541 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 9.232 0.440 -1.477 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 -25.984 -8.456 1.132 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 -13.769 -1.267 1.203 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 -4.092 -1.584 -5.349 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 6.940 10.587 -11.479 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 15.331 -6.761 7.950 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 0.728 3.676 5.525 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 -11.785 -7.582 2.282 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 13.696 8.696 12.166 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 -0.986 1.994 0.105 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 11.495 -6.506 -19.709 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 -6.080 -14.466 7.213 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 -2.995 2.031 -5.105 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 -13.059 6.611 -21.951 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 7.673 -2.655 11.577 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 1.702 0.846 5.738 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 -3.890 10.299 22.651 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 12.406 -3.077 8.599 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 -0.077 2.194 -6.208 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 -2.257 -2.112 -20.965 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 1.531 -4.085 5.003 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 -0.840 0.798 3.237 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 -8.432 -17.935 -4.100 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 19.158 -10.948 17.087 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 -5.719 2.802 -9.102 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 -1.663 -7.036 2.034 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 -15.201 4.395 -9.255 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 0.794 -1.163 -6.472 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 0.946 3.864 14.081 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 -0.073 -5.273 -21.067 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 -4.455 2.697 -3.051 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 18.322 -16.468 -18.058 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 16.221 -14.795 3.550 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 -3.593 -4.792 0.251 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 -14.564 -17.015 8.551 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 -15.665 15.509 0.085 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 -0.991 3.617 -0.679 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 -5.972 -13.571 6.675 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 1.809 -11.413 -13.174 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 2.511 0.522 2.379 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 -8.037 -1.687 0.547 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 -21.225 -19.602 -1.855 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 -2.776 1.732 2.678 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 1.062 3.648 1.719 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 -6.378 4.332 4.043 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 3.412 -4.202 1.818 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 -18.379 -2.499 -12.597 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 9.351 18.513 4.798 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 -0.071 -6.083 -4.531 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 0.356 -9.590 -27.638 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 7.710 5.015 -9.150 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 -1.309 0.386 -1.865 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 -5.167 4.288 -14.964 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 0.928 0.538 -7.051 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 0.511 2.381 -3.942 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 12.556 -5.347 2.636 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 4.970 22.646 8.090 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 -2.375 -8.007 2.920 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 -0.124 -20.710 -11.590 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 -2.348 7.504 -10.887 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 -2.106 0.336 -5.541 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 -35.738 -0.838 -24.922 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 -27.073 -7.342 -12.631 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 3.338 2.265 12.554 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 -1.506 -8.604 19.615 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 0.990 1.591 19.051 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 1.463 4.904 1.650 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 10.429 10.007 4.246 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 -34.202 8.064 -13.968 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 1.314 1.846 -2.136 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 13.061 1.271 -10.611 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 15.317 12.151 -21.465 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 -0.055 -3.804 -1.355 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 39.006 12.580 21.171 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 -8.263 -2.426 -2.297 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 3.328 1.844 2.293 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 2.531 -2.683 -4.796 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 -3.857 10.001 -3.762 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 -7.538 0.426 1.447 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 1.423 -14.651 -19.018 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 -10.160 9.910 11.206 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 1.228 7.494 2.723 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 19.668 -6.304 -20.499 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 -27.068 4.474 0.987 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 -3.037 -8.251 5.683 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 -6.305 22.004 13.937 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 -3.676 -8.102 4.865 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 0.450 2.053 -0.844 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 -8.551 -5.792 2.556 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 13.373 -3.652 13.205 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 -2.781 -4.984 2.378 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 -10.005 -7.338 -0.658 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 -4.356 4.020 -1.321 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 -0.607 5.504 -3.330 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 9.465 9.483 -2.073 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 4.189 -2.899 -5.792 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 2.842 3.975 -1.169 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 -10.770 -12.384 -3.077 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 -3.118 20.486 1.523 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 2.179 0.930 0.902 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 -2.965 -2.928 -11.298 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 -34.838 9.001 1.759 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 8.101 -5.025 -6.816 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 2.274 18.646 -26.282 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 22.822 -18.482 0.305 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 0.530 -9.031 -7.916 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 -20.297 9.547 11.814 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 -5.104 -7.822 -16.145 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 0.225 -0.037 -4.448 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 12.714 -5.434 1.830 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 -20.326 5.923 -13.662 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 3.804 2.355 1.970 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 0.805 -0.808 5.949 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 1.185 6.066 1.498 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 -4.374 6.752 0.898 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 -3.015 5.593 -1.389 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 14.690 -5.922 0.201 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 2.175 2.902 2.033 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 -4.329 7.144 19.745 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 6.827 -0.754 5.915 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 -1.767 -0.023 2.909 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 9.614 3.472 -4.762 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 9.613 -19.483 3.832 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 -0.084 4.812 2.560 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 7.827 19.980 -5.929 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 -12.980 -17.592 17.463 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 1.444 -1.993 5.537 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 -12.739 12.250 18.427 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 -1.473 -1.152 -15.799 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 -0.563 2.395 -7.533 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 -14.029 -0.538 -11.246 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 16.444 8.894 17.502 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 -6.146 2.407 -2.014 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 14.449 20.593 9.517 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 -14.485 1.105 5.249 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 0.672 8.819 4.357 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 7.517 12.786 -0.633 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 1.009 9.983 5.211 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 3.674 7.804 5.217 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 1.973 -15.029 -18.798 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 4.032 14.718 2.652 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 0.795 4.405 -5.148 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 19.567 -25.324 -18.369 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 -28.381 -15.902 17.490 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 8.448 -3.467 -0.749 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 9.302 -5.355 -9.513 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 17.050 2.694 3.226 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 9.733 0.351 4.620 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 0.521 29.550 -3.493 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 -0.698 26.064 1.417 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 3.284 -3.019 -1.155 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 -12.582 0.170 1.069 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 -8.865 -14.910 -6.302 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 5.132 2.069 -2.634 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 14.681 -18.147 13.062 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 -2.142 18.183 -21.029 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 -2.017 -2.478 -1.182 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 8.632 -3.960 23.150 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 -1.623 -16.680 -1.031 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 -2.037 -7.497 4.058 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 25.885 -3.208 -17.102 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 -19.713 -8.536 16.774 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 -2.843 3.801 -1.518 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 0.483 -11.772 -11.026 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 6.320 8.678 14.350 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 1.622 -3.708 2.226 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 9.543 -8.153 -11.987 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 -2.628 -1.923 -5.337 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 -8.082 1.302 -1.019 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 -12.153 13.482 -11.276 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 -7.157 0.809 1.567 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 3.617 0.778 -2.999 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 -5.908 -8.037 -4.690 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 -10.570 1.836 4.837 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 3.934 -7.507 0.409 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 0.354 -4.460 -4.537 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 5.074 -10.409 -0.836 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 -5.354 7.293 0.584 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 -22.489 -33.535 -4.520 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 -38.115 31.441 19.371 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 -0.492 -1.288 -2.981 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 2.273 -8.839 -1.338 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 5.431 -15.795 -1.361 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 -0.989 0.432 1.077 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 7.578 10.364 -0.973 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 -13.469 0.866 -9.226 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 -0.364 7.898 1.593 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 2.851 4.191 7.549 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 -10.383 -0.061 -5.802 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 -11.219 -5.873 5.885 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 -13.396 -8.949 -3.055 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 -8.488 -1.876 15.418 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 -3.108 2.967 -2.498 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 -26.342 -16.185 -11.611 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 -7.557 -18.631 1.289 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 0.633 -6.147 0.310 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 13.832 -8.924 6.538 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 16.530 4.364 4.515 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 -0.083 -8.361 -5.607 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 1.771 -7.935 -20.374 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 2.998 -12.652 -0.034 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 -3.657 1.718 2.108 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 -2.374 -1.768 1.154 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 -3.464 7.542 1.585 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 6.360 1.545 -5.303 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 -7.007 -15.667 -6.089 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 -16.025 3.896 3.341 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 7.125 3.462 9.889 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 17.396 -5.950 27.696 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 -0.942 0.511 4.347 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 -4.123 8.732 -3.616 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 -8.974 -11.206 7.588 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 -10.267 -1.937 -26.070 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 -1.960 -8.780 5.306 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 -20.037 -2.616 8.643 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 -36.519 8.335 5.417 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 -6.081 -2.084 -6.254 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 -1.788 3.690 -10.280 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 -0.286 19.280 -2.956 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 -0.687 -7.641 0.411 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 -28.088 4.694 1.056 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 -1.693 6.068 -8.004 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 0.768 5.215 3.883 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 10.802 -26.358 14.399 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 22.929 6.153 5.258 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 -5.129 3.881 -1.863 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 5.058 18.383 20.366 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 -14.977 22.981 3.051 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 -2.451 -2.995 -7.414 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 -5.871 1.371 -19.345 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 6.141 -12.432 -9.586 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 2.235 3.118 -7.979 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 -4.757 -11.750 -9.384 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 -5.357 -5.105 -10.615 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 -9.127 -2.555 1.904 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 -9.614 -4.607 2.274 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 11.793 25.761 -6.418 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 -3.641 -8.304 -2.897 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 -8.733 8.073 4.337 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 -46.804 11.395 16.983 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 7.116 3.017 -6.433 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 13.569 -9.498 -11.055 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 17.824 7.368 1.282 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 7.238 -3.797 -2.538 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 17.190 14.213 -16.388 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 6.020 -2.152 -3.596 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 0.235 2.314 4.148 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 -4.301 16.215 -1.043 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 -0.703 7.293 3.342 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 -8.596 -4.980 -0.689 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 -5.134 36.681 -7.358 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 -7.194 19.748 0.256 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 2.943 -0.347 3.218 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 20.652 -20.157 1.678 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 1.619 -30.673 0.746 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 -8.781 1.121 4.508 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 -3.114 1.785 -3.887 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 23.695 12.019 11.327 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 1.506 5.676 -3.786 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 -21.549 -12.060 -0.630 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 5.958 -1.506 -31.451 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 4.179 1.140 -4.802 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 27.215 -11.549 1.887 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 15.985 21.602 -1.632 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 1.316 7.602 -1.770 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 -17.740 4.466 -9.276 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 11.363 4.578 1.923 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 2.656 -3.194 4.235 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 5.035 -5.609 0.964 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 -9.514 -16.653 12.725 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 4.228 -1.300 2.671 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 -12.641 -35.408 -9.424 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 -16.705 14.093 4.599 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 -0.257 8.229 1.572 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 7.283 -2.122 0.858 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 -17.415 9.175 -8.172 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 -1.503 -3.119 1.910 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 -9.328 7.974 16.445 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 6.126 -13.950 -6.219 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 0.385 -3.178 -6.053 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 -4.458 -23.417 -1.850 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 -11.689 7.468 9.069 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 5.863 -1.319 2.139 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 9.017 -3.068 22.208 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 -34.103 5.066 -18.110 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 4.259 1.232 -0.049 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 -1.661 10.291 12.654 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 5.792 14.648 5.912 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 -6.118 4.994 5.227 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 0.272 2.001 9.068 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 -2.297 13.478 4.404 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 6.516 3.561 0.474 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 -21.323 16.270 2.251 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 -10.272 7.459 -4.832 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 1.324 4.139 -6.246 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 -3.090 -5.024 -5.349 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 9.351 3.032 -10.563 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 2.480 7.755 -0.281 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 17.609 20.887 19.714 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 17.418 12.657 -22.649 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 -1.459 -0.364 -3.315 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 4.713 -4.649 -15.961 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 0.966 -28.700 -17.389 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 1.240 0.572 -1.545 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 3.756 3.223 3.086 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 -21.919 -14.150 -14.062 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 2.370 0.348 0.372 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 -5.694 -50.406 18.729 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 23.341 8.950 5.371 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 -9.255 -2.109 0.072 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 -27.239 4.075 11.653 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 -5.557 0.526 -13.152 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 0.977 -1.847 -2.143 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 0.874 2.675 -2.781 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 6.368 0.882 8.363 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 -2.593 1.349 1.369 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 -1.120 3.296 18.868 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 -2.970 -23.492 3.964 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 3.267 0.914 -8.066 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 -20.712 -20.034 -34.273 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 12.440 -12.110 14.075 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 -3.755 -2.337 8.050 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 -4.519 14.992 16.985 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 -2.668 -30.743 -6.578 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 -1.325 -9.182 3.217 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 -1.428 -3.363 8.714 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 -5.812 4.011 8.753 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 0.971 -0.219 0.355 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 -13.555 -6.055 -7.399 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 1.403 14.261 7.899 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 -0.918 -0.531 -6.560 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 -0.636 -3.983 -10.435 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 5.517 -19.349 -4.876 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 -5.530 1.739 4.381 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 -4.971 0.404 3.354 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 -7.355 -0.328 3.652 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 0.729 11.860 7.072 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 -7.629 5.635 -0.488 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 -18.587 -15.989 13.275 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 2.925 -2.779 6.463 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 0.305 -3.905 5.487 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 -15.457 -13.124 -3.396 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 -2.458 3.447 -4.863 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 -3.996 10.351 10.267 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 -10.393 2.544 26.738 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 -3.911 0.591 1.435 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 -1.257 2.145 -9.567 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 4.470 -3.445 4.703 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 3.016 -2.608 -0.417 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 2.148 -18.914 -15.984 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 5.907 7.846 -7.481 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 -3.072 -1.979 6.398 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 1.877 -2.726 14.286 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 -17.764 1.641 1.113 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 -2.209 -4.736 -0.174 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 3.277 11.199 -3.273 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 -3.671 -6.398 -0.257 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 2.103 0.478 0.750 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 13.716 6.601 14.482 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 -1.673 15.465 -12.063 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 1.044 -0.607 -5.146 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 -0.805 6.072 -3.960 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 4.475 7.690 -0.593 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 -2.235 2.868 -2.407 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 17.185 11.939 0.032 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 5.113 10.570 7.077 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 0.743 4.217 -0.483 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 4.863 3.361 -9.228 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 -14.678 4.582 -3.522 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 -1.428 -2.279 2.973 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 3.142 -9.527 -1.140 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 9.594 16.662 -0.258 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 -7.627 -0.488 1.115 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 -8.011 -12.427 -2.939 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 2.596 -3.747 13.828 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 -5.655 -2.048 0.761 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 -21.118 0.550 7.468 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 -13.301 -0.696 4.100 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 -10.277 -0.465 1.916 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 8.335 11.209 -19.453 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 -20.290 -14.816 12.501 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 3.383 4.112 0.855 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 -1.728 7.476 0.104 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 3.855 3.636 0.057 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 -3.166 3.307 -0.899 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 4.649 -0.218 -17.672 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 15.037 -26.073 -4.415 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 -4.699 -5.786 -3.296 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 21.284 9.320 3.067 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 15.088 -3.245 13.965 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 0.076 3.101 -6.164 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 5.797 -3.345 -1.535 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 12.954 -9.922 -29.375 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 -1.809 2.121 2.965 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 -6.401 8.045 -1.890 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 18.630 -8.529 -11.204 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 6.042 -0.101 -1.678 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 12.040 -12.594 4.666 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 8.729 8.544 3.750 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 -1.049 5.826 2.010 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 -0.227 7.439 0.513 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 -15.553 -8.603 22.459 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 -2.071 -0.922 6.203 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 13.494 -3.902 0.598 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 -4.832 6.741 -7.915 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 1.215 -4.648 -0.977 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 13.373 0.295 -10.147 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 7.655 -16.995 1.314 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 2.952 -4.176 -5.936 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 -5.357 4.590 -4.523 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 5.120 4.311 -8.187 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 -1.991 0.014 -2.904 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 10.550 -31.858 -3.537 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 -0.007 -16.430 -3.493 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 -7.992 -2.662 -6.263 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 -16.639 -0.784 0.017 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 18.067 -12.135 -19.650 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 -1.131 7.334 -0.106 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 2.316 18.977 -12.253 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 -13.223 -4.985 9.945 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 6.329 -3.764 5.141 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 7.357 -1.136 1.108 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 4.855 -6.409 -8.417 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 5.518 -1.482 -11.392 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 0.858 2.022 1.873 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 -9.186 11.175 -22.309 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 7.209 -7.472 -0.433 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 5.580 -19.578 -0.404 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 8.709 -0.779 -5.422 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 6.226 5.381 -3.898 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 -21.152 -3.715 -16.881 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 26.582 7.544 -5.679 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 -3.764 0.004 -8.016 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 0.564 -0.346 -13.646 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 0.574 -4.082 11.766 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 -2.964 -6.722 -7.404 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 12.324 -3.025 0.138 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 -12.281 -3.014 -2.543 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 0.501 6.144 -0.164 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 -10.163 8.461 9.415 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 -9.850 -14.077 -9.825 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 -2.999 -8.786 4.361 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 -7.476 -3.339 4.877 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 -2.294 -12.712 1.712 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 -0.637 -1.672 3.920 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 -15.959 -5.286 21.398 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 -14.426 0.630 -19.534 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 3.261 -7.179 -0.096 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 4.824 -1.854 -3.133 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 13.910 -0.289 -1.909 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 0.263 3.015 -2.029 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 5.910 -24.374 2.130 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 -7.124 -2.454 -9.257 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 -3.734 -2.154 -7.711 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 9.037 -11.134 8.281 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 4.665 -1.052 2.145 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 -3.800 -0.773 4.175 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 -6.336 -22.438 5.237 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 10.135 13.808 18.857 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 -1.095 -1.284 -3.515 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 17.942 5.881 13.549 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 22.401 -11.544 11.072 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 -2.128 -6.883 -6.424 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 -4.237 -13.576 -0.662 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 2.537 5.981 -14.247 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 3.263 -1.024 0.289 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 -5.422 -19.545 -18.469 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 23.917 3.286 5.036 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 -6.671 -4.478 -6.939 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 -9.279 -6.441 -9.729 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 7.909 7.662 10.072 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 -1.028 1.848 1.889 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 7.620 7.748 -3.847 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 -8.055 -0.680 3.524 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 -2.740 -1.711 -2.849 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 -15.353 9.664 2.234 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 2.053 -6.445 11.371 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 -5.596 0.390 3.687 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 -8.206 -3.891 1.403 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 -6.992 8.137 11.799 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 5.150 -2.038 5.271 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 -8.925 10.087 10.149 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 -37.878 16.284 28.560 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 -5.052 -4.608 0.568 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 -3.981 18.282 -1.040 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 -19.916 -24.337 -6.701 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 -8.996 4.064 6.050 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 14.069 1.381 11.020 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 -19.543 -4.664 22.395 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 -0.736 -0.382 3.233 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 -6.670 -5.986 -4.148 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 9.078 -6.702 -15.397 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 -8.220 -1.592 -3.180 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 -2.471 17.884 -11.972 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 -6.794 -4.181 -15.058 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 -4.288 2.275 2.670 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 7.109 14.301 -7.273 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 12.889 12.826 -5.114 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 -1.426 6.258 2.961 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 1.670 11.510 -10.496 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 -1.629 14.420 6.471 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 -5.347 -7.907 3.757 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 17.652 -1.713 8.121 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 25.963 11.905 17.368 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 -1.080 0.600 -5.884 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 -8.180 4.327 -20.376 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 23.532 -2.601 -3.119 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 -2.412 -1.270 -2.464 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 25.483 -12.944 5.343 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 9.402 19.280 20.221 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 9.507 4.283 -3.794 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 8.986 0.290 -18.288 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 14.025 5.242 -17.355 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 3.545 6.537 1.955 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 -1.048 22.477 12.614 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 -8.922 8.123 -13.274 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 -3.325 0.729 2.758 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 -12.397 -2.306 -10.774 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 -4.227 -8.289 -7.214 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 1.361 3.489 3.880 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 5.546 28.615 4.160 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 1.388 4.656 4.046 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 0.412 2.024 -4.728 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 17.147 -3.900 -1.822 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 -12.793 -2.413 -5.981 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 -3.769 -0.462 -0.574 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 -1.098 -16.349 -4.414 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 -2.116 -4.249 -7.127 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 -3.339 0.305 0.616 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 18.097 43.014 9.263 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 -1.364 2.349 -0.471 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 5.981 -1.299 -3.329 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 -3.066 -7.616 -16.996 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 13.189 -17.861 1.131 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 -3.454 1.542 -1.424 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 -2.085 -1.936 -3.928 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 13.399 -6.579 -15.239 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 3.004 -4.766 9.730 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 -6.256 -22.999 -3.801 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 -0.003 3.566 -4.035 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 1.665 1.598 0.847 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 -4.258 0.277 0.266 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 9.454 2.462 11.982 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 3.524 -5.770 -2.189 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 19.128 -16.994 -20.433 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 2.003 17.707 -5.296 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 7.184 -4.416 2.679 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 -29.917 -7.506 18.516 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 -21.742 -9.031 -7.654 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 3.623 -3.665 2.942 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 24.103 5.061 -12.681 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 -2.512 18.369 17.227 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 -1.472 4.464 -6.158 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 -16.439 4.364 8.236 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 -3.493 1.690 2.736 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 2.183 2.874 1.814 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 9.601 6.526 -3.003 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 -3.137 -3.964 0.609 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 4.754 1.789 -5.160 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 -13.143 0.266 -5.926 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 22.334 -1.401 -2.095 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 -1.125 2.916 -4.577 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 1.864 -1.845 15.817 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 -8.641 -14.729 -12.990 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 1.709 -2.689 0.795 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 1.441 7.674 2.663 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 2.217 -13.221 7.743 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 0.715 -2.116 -7.861 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 -2.567 9.033 16.814 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 6.661 2.901 -5.149 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 -1.711 -2.617 -5.486 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 -4.810 5.337 -24.108 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 -5.485 -9.025 10.799 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 -1.966 -0.420 0.689 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 -11.444 -11.428 -0.815 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 2.575 -11.547 3.912 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 6.003 3.297 -1.017 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 20.422 1.600 1.253 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 -36.596 14.280 -5.740 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 3.055 -0.155 0.609 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 14.690 -4.781 11.497 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 6.225 -3.761 27.095 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 3.751 3.726 4.317 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 3.460 -30.696 -4.293 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 -2.802 -16.041 -22.618 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 -6.328 -8.962 3.427 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 -5.359 -0.946 35.480 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 -18.335 -11.900 -3.456 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 -1.435 7.627 -2.846 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 1.538 -3.624 3.813 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 20.667 -14.274 -11.990 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 -3.183 -2.741 1.706 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 -2.824 -6.422 16.379 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 -7.542 11.350 -7.657 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 -3.139 1.863 -4.205 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 15.304 -13.592 -1.355 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 -24.724 -12.104 -16.207 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 -5.864 4.535 -1.020 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 -12.924 17.643 -0.458 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 -9.350 2.643 -3.358 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 1.086 -2.199 3.819 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 -0.216 25.410 11.368 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 -0.742 4.933 5.280 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 -6.911 -3.829 1.040 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 -10.121 1.128 3.081 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 -0.727 -2.450 3.368 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 6.823 7.816 -0.175 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 -7.996 30.913 -6.245 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 4.047 -0.579 1.979 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 0.408 -0.058 -0.855 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 -5.363 4.552 3.654 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 -6.031 -5.746 1.409 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 0.676 -8.981 3.426 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 13.100 -11.933 6.096 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 6.496 -18.116 -11.103 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 0.651 7.817 -0.887 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 -24.035 -0.262 22.107 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 -17.630 -1.313 17.850 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 -1.958 3.650 0.557 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 2.416 16.984 -11.408 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 8.860 -16.052 -1.093 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 -1.113 -7.725 5.885 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 6.456 -5.777 -5.817 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 -8.326 -8.581 10.343 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 -2.223 7.370 -2.135 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 12.109 -0.255 -5.770 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 -4.312 -2.995 -9.556 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 6.771 1.795 -2.378 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 10.042 -13.578 6.575 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 -17.322 13.094 -10.011 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 1.179 4.262 -8.196 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 -2.790 15.090 -28.175 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 14.634 -10.612 -13.660 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 1.999 -4.982 5.947 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 3.139 -4.710 12.929 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 -33.915 -17.030 -1.566 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 10.722 -1.751 -5.909 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 23.791 8.606 0.827 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 11.604 -7.996 -22.101 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 -2.301 -3.447 2.818 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 -0.668 -0.583 0.579 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 -12.405 -1.861 -5.968 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 4.000 -0.879 -1.143 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 1.944 -4.446 1.369 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 -13.037 -7.252 8.180 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 0.805 -5.190 -5.859 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 1.536 16.210 -5.098 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 -9.680 -2.712 -23.965 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 3.453 2.676 0.845 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 7.463 -14.124 -10.206 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 12.365 -5.279 7.924 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 5.186 -3.134 -3.984 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 -3.508 -5.756 6.180 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 -19.249 5.023 47.143 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 -2.192 -0.854 -0.860 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 -10.400 -15.673 -15.081 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 19.919 0.033 -5.513 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 -0.206 4.671 3.685 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 -24.673 -20.036 -21.811 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 -2.202 -6.562 9.802 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 -0.839 -6.045 0.339 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 -2.327 -0.774 -0.708 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 -9.378 -9.248 4.143 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 4.931 -0.108 -2.183 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 24.300 12.193 11.823 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 8.488 16.472 8.289 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 -4.452 1.086 -2.482 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 -3.275 2.795 0.024 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 -4.461 5.388 0.061 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 0.866 3.342 -4.177 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 -40.525 21.125 -2.519 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 2.749 4.795 -2.005 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 -5.336 -4.898 -1.778 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 -4.598 11.702 22.648 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 -15.150 -23.918 4.710 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 -9.555 -5.682 4.460 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 -11.362 -8.749 -17.380 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 -23.967 6.598 3.929 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 -0.543 -6.457 5.565 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 6.382 -13.484 -13.222 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 -8.302 1.624 -2.687 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 1.298 0.142 -0.969 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 -1.703 -8.305 8.357 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 12.020 7.037 -4.629 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 1.156 -0.319 0.512 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 -0.612 -4.374 -0.595 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 -5.670 1.441 -10.471 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 7.033 -0.819 -1.574 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 35.586 11.535 -13.476 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 12.676 -8.020 26.331 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 4.086 -4.568 -1.092 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 7.834 -22.251 12.028 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 2.044 10.930 7.936 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 1.967 -3.023 -2.033 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 0.300 12.410 7.226 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 0.212 1.736 -16.822 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 4.576 -0.068 -0.895 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 6.409 -21.190 14.860 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 -18.735 11.511 6.201 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 -6.702 3.502 1.687 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 8.234 -21.935 14.248 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 3.583 -9.912 -18.645 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 -2.300 -2.772 -1.653 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 -1.100 -4.745 -19.186 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 15.263 -2.575 24.285 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 0.926 -1.494 -3.777 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 -2.152 -5.063 -1.947 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 4.100 6.463 -3.371 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 0.080 0.882 -0.695 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 -9.608 2.329 -9.913 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 -1.621 -15.563 -4.297 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 -0.396 -2.734 -3.501 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 -0.996 -13.587 1.715 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 18.476 -18.668 -7.666 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 -4.267 -4.952 -1.365 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 14.774 21.103 7.912 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 -22.382 -2.842 -21.842 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 -3.149 1.347 4.103 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 -14.944 4.501 6.859 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 17.147 12.652 -11.266 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 7.998 -1.160 -4.313 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 -3.688 -1.025 -6.292 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 -34.380 13.376 -26.636 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 5.246 -3.065 -2.485 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 9.358 4.041 -16.603 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 -17.196 -16.688 7.202 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 3.375 -2.191 -1.150 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 6.044 6.673 18.413 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 -7.707 -4.713 -11.475 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 6.887 -2.411 3.611 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 7.704 -0.764 3.013 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 8.517 -6.022 1.919 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 -0.033 -0.242 -3.122 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 -19.761 -7.348 -7.744 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 5.980 31.540 -20.356 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 -0.944 -5.608 1.400 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 -5.522 -7.867 5.800 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 10.065 -10.219 0.721 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 -2.120 -1.045 -3.413 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 -35.324 -1.516 3.876 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 13.842 -1.172 -6.577 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 4.161 0.630 -4.952 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 3.217 -5.107 -9.581 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 -6.739 -7.665 -6.072 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 -4.519 5.144 -0.689 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 18.345 6.251 -14.331 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 5.768 22.032 3.916 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 -0.637 -4.314 -5.455 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 1.822 -2.433 -11.509 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 -12.028 -3.794 22.384 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 5.838 2.252 -3.365 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 0.643 7.820 4.479 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 -12.998 15.196 13.621 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 -4.533 -2.346 0.368 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 -3.592 25.625 10.636 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 7.734 -17.977 25.827 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 -4.927 1.905 -1.039 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 -11.704 -13.257 -1.680 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 -3.769 2.431 -3.666 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 -4.683 -0.392 2.755 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 15.132 15.936 13.622 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 4.623 10.645 -1.246 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 0.326 -0.438 -2.507 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 -4.163 7.280 -10.925 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 -6.937 -14.437 21.144 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 2.335 -1.328 -5.492 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 -5.288 2.085 -3.745 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 19.629 -11.638 -11.125 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 -2.568 1.427 -4.186 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 -14.613 -14.271 -15.751 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 -4.906 -13.151 -5.889 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 2.312 0.107 2.262 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 -10.463 4.697 34.494 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 13.213 33.668 -13.371 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 -0.929 3.881 -5.774 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 -20.119 -12.794 -8.360 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 10.485 15.768 -2.878 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 -5.424 1.049 -3.107 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 -3.528 5.258 -9.571 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 -5.105 -3.972 5.124 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 -1.310 1.035 -2.354 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 5.104 -2.348 -6.233 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 13.700 -3.284 -4.333 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 -2.514 -1.000 1.968 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 -10.570 -0.731 1.744 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 -4.174 -4.397 -5.582 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 -0.782 6.073 4.506 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 15.298 -2.308 -13.680 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 14.081 13.077 -19.385 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 -5.968 -1.711 2.840 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 -0.099 5.177 -16.829 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 7.789 9.308 14.877 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 5.415 0.561 1.527 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 15.064 8.349 12.629 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 7.495 -7.722 0.264 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 6.338 4.168 4.247 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 5.791 -7.719 -11.196 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 -4.661 2.130 8.948 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 2.563 -8.857 4.505 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 8.374 18.862 2.428 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 11.947 24.427 7.296 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 7.797 -3.816 3.742 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 7.447 -5.192 26.122 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 10.331 -3.987 -9.061 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 3.982 -6.743 3.318 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 6.291 -9.042 5.537 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 9.216 -5.680 -20.091 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 -5.738 1.818 -0.045 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 -3.316 16.656 -6.187 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 8.872 -5.156 0.522 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 4.794 -4.079 1.401 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 10.977 10.794 -5.520 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 16.395 17.066 -17.398 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 4.717 -5.535 2.253 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 4.696 -7.722 0.411 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 12.275 6.216 22.260 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 -5.982 8.065 -0.865 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 -10.639 4.202 -2.277 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 -16.239 -4.175 -3.484 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 3.331 -0.069 2.360 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 2.003 14.491 0.603 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 3.642 1.861 2.042 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 2.143 -1.728 -1.498 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 5.364 8.084 6.734 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 5.805 8.056 6.722 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 -1.162 -0.269 -4.267 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 0.008 20.316 -10.468 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 7.676 18.133 4.640 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 3.192 1.711 3.229 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 5.320 -8.473 -5.468 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 -8.397 -9.573 21.256 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 -7.407 2.423 6.930 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 -21.781 9.700 7.586 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 -5.836 15.050 -2.555 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 -0.100 -6.817 3.520 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 -21.267 29.261 1.395 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 -24.237 -7.120 -11.242 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 1.577 -0.824 5.038 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 -0.949 2.411 10.477 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 -3.151 3.121 11.687 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 4.964 -4.474 0.869 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 9.070 -2.148 0.173 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 -18.622 4.688 10.817 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 7.825 12.685 0.879 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 -21.185 20.616 -11.385 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 7.800 25.826 -6.389 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 3.140 4.429 -3.680 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 -10.839 -4.284 1.446 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 -12.593 -14.312 -7.773 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 -5.364 -5.466 2.419 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 -4.508 -7.016 0.693 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 -2.040 7.873 -2.956 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 1.909 2.627 6.434 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 21.432 -3.439 6.395 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 -1.952 12.779 -13.390 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 3.288 -3.335 3.809 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 -15.379 -32.098 -13.968 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 13.950 -17.886 16.299 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 -6.398 1.967 -3.436 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 10.495 18.633 -1.306 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 8.363 -5.431 -20.758 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 1.792 8.055 0.885 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 -0.875 15.012 -13.473 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 8.896 -1.753 10.894 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 -3.253 5.286 -0.136 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 5.809 2.476 -1.103 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 -3.132 14.443 -2.861 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 -3.780 3.280 -3.988 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 9.147 -18.079 9.954 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 -17.036 -8.163 9.856 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 0.619 -0.179 -2.919 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 -0.429 20.821 -7.206 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 14.890 -14.137 -2.011 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 -4.151 -1.546 6.016 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 -0.461 9.321 6.565 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 -2.227 3.101 6.326 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 1.897 2.223 1.280 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 -14.933 -10.034 -3.268 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 8.041 -11.036 -24.550 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 4.881 -3.312 -0.388 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 23.446 -4.350 -17.683 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 -1.834 8.471 3.986 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 -5.031 1.775 -4.204 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 -4.749 18.517 23.883 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 -10.731 -18.617 -14.945 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 1.567 -0.415 -3.945 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 -4.841 -14.307 3.452 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 13.738 1.905 -4.968 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 -2.361 2.503 7.732 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 -2.976 16.246 9.513 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 -2.442 12.791 -6.040 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 -6.376 -5.187 1.075 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 9.936 -14.482 18.868 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 -15.836 -5.191 1.101 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 1.256 -3.646 -3.026 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 9.050 -14.685 -6.325 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 -2.885 1.981 -0.931 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 2.023 -3.219 1.128 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 8.640 25.160 18.364 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 0.654 -0.862 -2.495 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 -0.688 1.086 -3.806 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 2.163 -9.346 7.326 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 0.307 -6.513 3.769 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 1.946 -2.408 -0.118 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 13.287 4.632 17.769 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 -26.957 10.882 1.051 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 5.842 -3.653 3.539 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 17.118 -0.547 -1.735 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 4.617 12.085 18.657 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 -0.957 -7.775 1.396 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 -23.613 16.492 -8.335 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 3.074 3.495 -2.448 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 2.843 -3.357 -0.666 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 -0.624 7.109 -5.501 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 -8.001 -9.318 -27.420 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 0.943 2.095 -0.647 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 -8.229 8.897 3.124 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 -19.788 2.784 -7.045 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 3.200 -3.674 0.313 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 -0.165 -12.505 -5.944 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 -5.090 7.295 1.308 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 -5.400 -5.002 0.392 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 4.128 3.597 -23.277 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 -18.569 11.483 11.105 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 3.044 3.550 -11.059 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 14.476 6.462 1.800 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 -6.611 -1.404 -20.459 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 1.122 3.711 0.524 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 -8.540 12.644 -9.018 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 3.874 5.754 0.418 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 -5.511 2.463 0.455 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 -3.159 15.261 -0.706 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 -1.129 3.975 -4.173 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 4.324 -6.045 -4.947 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 -13.915 3.683 -2.039 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 -20.595 7.652 -1.116 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 1.934 -4.211 -2.804 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 20.697 -5.727 -21.277 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 10.567 -4.980 -11.474 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 -1.237 -7.397 2.607 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 -2.399 6.716 16.740 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 1.466 -0.284 17.916 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 -6.620 -1.231 1.625 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 -9.994 0.009 7.238 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 7.825 -37.266 -5.109 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 -2.964 1.741 -2.922 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 -11.789 -14.439 -10.720 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 -18.028 4.054 9.792 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 -8.859 2.376 7.888 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 -13.002 5.195 -35.124 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 1.284 -3.228 13.887 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 -6.110 -4.245 0.931 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 -15.363 -8.945 -8.262 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 16.632 2.778 17.781 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 -4.841 4.212 0.969 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 11.527 -7.294 0.402 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 14.933 -21.779 22.038 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 -4.881 -2.678 -3.410 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 -12.985 15.330 -9.532 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 -4.287 -6.571 -2.221 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 -3.468 -1.513 0.619 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 10.262 -22.021 1.724 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 -11.752 -7.282 18.404 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 1.332 9.907 -3.946 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 9.078 12.159 -22.344 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 -18.219 8.299 -2.164 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 5.205 5.886 -5.917 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 13.767 23.425 -6.279 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 -6.816 0.597 -13.836 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 -5.127 11.125 2.363 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 -8.060 9.336 12.019 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 -6.969 14.318 -0.362 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 8.602 6.948 4.613 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 13.639 17.353 -2.769 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 -3.849 -5.587 4.535 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 5.238 2.621 0.079 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 11.917 14.110 17.087 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 -5.650 5.857 -3.539 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 0.818 2.053 -3.128 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 15.123 -3.515 4.352 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 -4.337 4.338 -3.004 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 -0.108 0.832 -2.213 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 -1.703 -5.278 6.860 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 -6.108 -8.900 3.179 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 1.858 5.226 -5.869 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 -2.270 3.306 -3.866 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 0.706 7.240 -10.433 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 2.283 0.940 2.898 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 13.824 -13.941 -8.541 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 17.628 4.637 -14.746 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 -3.810 -3.387 -1.782 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 1.119 -3.536 0.631 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 -6.561 -5.437 5.952 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 2.632 1.475 5.111 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 7.589 -0.014 2.310 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 13.062 0.481 -9.333 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 -6.132 3.618 1.511 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 14.388 9.571 -13.361 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 8.762 7.890 -17.526 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 -7.487 -2.128 -1.293 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 -12.615 -13.368 18.171 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 5.875 -17.626 -12.687 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 2.500 5.257 -0.187 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 -2.105 0.904 -14.730 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 3.107 -1.762 4.879 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 -0.520 3.596 -5.662 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 1.180 -10.701 -7.234 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 5.888 6.996 10.543 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 -12.420 -3.771 0.409 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 -20.108 -14.523 -0.611 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 -4.905 -1.668 10.734 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 -0.035 -5.095 -6.496 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 -9.574 10.465 8.434 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 -10.570 -23.601 -4.902 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 -2.490 -5.084 1.149 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 -6.558 -25.572 15.809 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 1.591 18.393 13.667 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 8.595 3.961 3.429 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 12.657 20.478 -2.791 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 -6.678 -5.156 -13.455 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 1.082 -2.211 -2.185 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 9.979 -6.639 -7.869 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 11.730 0.877 -9.176 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 -1.254 1.922 1.015 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 -12.905 -14.396 5.631 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 -9.171 4.041 -12.361 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 0.581 -4.838 -3.634 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 -0.031 -3.120 2.014 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 13.480 -17.327 7.174 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 -5.552 1.051 0.091 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 -5.383 -9.457 -17.335 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 -1.223 -13.040 -26.406 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 -0.256 -0.259 4.771 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 5.497 -7.887 7.976 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 3.986 22.648 9.325 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 0.755 1.995 -3.309 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 -8.377 -5.621 6.505 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 -1.624 -7.083 -6.313 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 1.288 -5.637 0.387 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 -1.414 -4.744 0.069 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 2.389 -6.367 -3.572 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 -1.940 -2.882 5.264 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 -16.764 0.461 18.316 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 0.706 -12.762 0.809 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 -0.261 1.658 -0.870 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 -11.466 17.172 -15.144 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 9.908 -11.031 1.760 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 4.976 -4.021 4.466 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 -1.654 -7.573 10.225 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 -4.431 12.543 18.396 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 -5.552 2.646 -0.790 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 -8.889 4.321 3.151 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 2.687 9.405 -2.181 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 0.934 4.686 -0.006 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 -8.312 5.010 -17.141 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 7.300 0.062 -0.562 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 -6.620 0.790 -0.554 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 -16.710 8.028 -3.437 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 -11.792 -10.332 4.743 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 5.048 1.926 3.675 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 1.154 -6.445 3.592 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 6.530 1.913 4.841 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 0.437 -1.836 1.478 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 -1.904 -10.887 12.777 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 4.800 10.108 -7.992 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 2.059 -7.479 -6.034 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 -16.642 -30.138 1.479 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 5.893 17.068 -17.315 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 -10.631 -7.611 2.919 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 -11.251 1.870 -9.534 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 -17.075 -0.773 7.093 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 5.139 0.510 -5.102 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 -2.907 -13.211 -9.175 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 12.391 -1.105 1.850 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 3.015 -5.283 1.807 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 -21.645 18.473 1.245 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 -3.918 -17.581 7.359 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 5.931 2.296 -3.577 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 -4.250 -24.537 11.442 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 8.268 15.777 -8.589 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 0.724 -3.183 -3.032 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 -4.100 -3.017 -9.295 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 -10.727 1.864 21.295 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 9.579 -3.433 -2.604 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 7.808 4.344 -7.443 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 9.385 -2.310 -8.348 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 -1.276 -0.805 1.775 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 -0.312 -11.452 25.201 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 1.068 6.896 6.531 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 3.118 0.703 3.123 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 11.079 7.313 6.138 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 26.401 19.715 1.451 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 -2.645 -2.615 -5.307 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 15.173 -17.633 2.157 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 -2.043 2.222 -8.015 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 -1.789 -2.652 5.893 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 -0.317 -13.250 5.105 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 7.786 -15.855 19.077 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 -1.891 6.190 -4.264 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 -2.202 9.587 -0.912 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 7.882 -15.273 -6.648 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 -0.381 -4.169 6.869 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 4.429 -6.986 -16.609 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 -4.339 -0.766 9.279 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 -7.223 8.411 -1.181 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 -4.643 -5.066 -14.094 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 -14.046 19.315 -6.416 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 8.891 7.689 -5.172 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 8.758 16.235 -11.778 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 19.607 -2.433 -12.652 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 -1.114 0.158 1.851 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 -2.372 -4.943 6.620 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 -7.444 3.617 8.639 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 -2.271 3.111 -1.646 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 -12.320 -7.237 4.356 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 11.114 1.551 2.116 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 -4.613 8.446 -1.401 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 -14.259 1.682 2.126 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 2.574 27.204 -16.088 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 -0.657 2.541 0.895 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 4.973 15.932 -0.169 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 6.482 -12.504 22.732 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 -0.251 -6.360 5.807 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 -6.347 -5.095 -10.887 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 3.929 -1.827 -3.359 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 -9.074 3.196 -4.454 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 -19.464 -4.979 -11.096 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 6.183 16.490 -11.441 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 -7.061 1.328 5.679 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 -10.471 -18.031 3.129 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 13.007 4.751 1.402 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 -1.260 -6.095 -9.052 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 -2.892 -2.155 -11.614 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 14.732 -15.254 15.521 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 -6.076 9.382 0.835 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 -1.186 -6.242 4.859 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 -3.170 11.288 -3.268 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 0.722 -5.121 2.380 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 -1.845 -3.564 -1.197 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 9.077 7.033 5.919 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 2.538 -1.434 -4.215 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 -29.532 -8.784 4.868 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 -35.241 3.960 -13.870 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 4.719 2.468 -0.759 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 0.816 10.457 0.588 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 -6.989 -14.083 14.282 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 -4.350 4.661 -3.515 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 -4.675 0.132 -0.002 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 -15.004 -3.732 3.051 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 1.653 3.545 6.900 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 -4.111 -7.286 -4.214 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 1.224 15.521 -5.525 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 1.843 10.726 1.287 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 -8.736 1.049 -16.793 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 6.456 -10.146 16.424 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 0.236 2.622 -4.118 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 4.119 -5.752 1.233 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 -1.913 15.455 -14.686 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 7.348 9.329 -0.803 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 10.690 7.648 2.744 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 -9.889 -4.885 -2.479 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 -2.174 7.412 6.240 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 3.515 9.462 10.055 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 6.956 -3.583 11.462 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 -3.126 -1.671 6.502 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 14.693 11.589 -5.423 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 10.197 7.301 26.247 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 1.712 -6.992 -3.787 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 -2.543 -15.236 4.385 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 0.438 -12.386 -2.373 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 -0.761 3.065 -1.299 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 7.368 2.246 7.202 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 -17.865 28.595 -16.317 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 0.120 3.467 -2.168 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 -7.902 -17.245 -10.971 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 10.272 -5.127 -3.942 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 -1.364 -3.138 0.758 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 11.216 15.875 0.765 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 -8.444 -9.650 -13.071 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 6.325 5.245 -5.355 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 29.520 5.036 -11.102 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 -2.550 4.602 -3.371 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 4.634 0.032 -2.589 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 -11.334 6.935 16.393 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 2.854 0.503 -8.290 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 3.970 1.257 0.606 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 -0.635 -18.316 10.443 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 18.958 19.870 15.026 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 -4.958 3.160 -1.210 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 7.274 -10.576 -13.717 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 0.500 1.799 10.963 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 0.295 5.517 -5.992 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 -8.413 0.650 -9.762 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 -4.925 2.319 -8.239 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 -4.923 -4.312 4.779 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 3.757 25.756 18.670 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 -27.370 36.466 -6.056 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 0.753 2.130 1.954 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 -6.242 1.595 -27.923 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 -6.327 21.241 5.735 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 -0.617 6.776 -6.377 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 37.720 1.156 4.197 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 9.791 7.800 -8.589 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 1.352 1.073 2.674 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 0.219 -7.747 4.065 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 -6.332 -15.955 7.829 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 -8.248 -7.588 4.624 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 -20.352 -2.374 4.331 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 -9.651 -21.471 25.720 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 -2.005 -0.049 1.526 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 -1.718 -1.088 -1.605 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 -2.981 -1.465 6.423 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 3.073 7.114 3.877 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 14.647 -2.885 15.721 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 -4.664 7.374 -14.783 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 3.384 -2.448 2.931 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 -8.173 21.003 15.511 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 2.152 -5.668 -1.547 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 -3.320 1.299 -6.257 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 -31.096 12.793 -27.601 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 -11.357 8.343 1.949 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 -1.114 -0.538 -1.516 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 1.619 5.492 -2.876 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 -4.816 -6.805 1.361 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 -1.386 -1.265 5.426 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 4.258 3.813 -14.014 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 -2.004 5.941 -3.311 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 0.061 3.667 -5.103 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 8.353 -0.611 -1.290 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 5.346 -8.270 15.656 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 -2.117 3.351 3.836 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 -6.517 -2.533 9.423 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 -15.243 7.765 10.577 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 2.255 3.295 0.422 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 -1.737 3.067 -28.835 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 26.095 3.592 5.896 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 -5.439 -3.071 -4.143 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 7.295 0.151 -2.022 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 0.447 3.438 -6.924 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 0.050 -2.774 3.868 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 11.855 8.873 -27.704 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 -2.898 -3.294 14.555 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 2.067 -2.189 -4.072 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 19.334 -13.527 2.428 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 -3.034 1.392 -6.952 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 4.886 1.161 2.415 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 10.764 -8.401 9.110 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 9.818 11.639 -0.056 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 0.766 5.263 1.574 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 -5.275 23.982 -12.040 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 0.060 2.567 32.395 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 1.097 0.765 7.281 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 12.168 -13.299 14.054 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 5.576 18.192 -6.287 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 1.954 0.353 -1.548 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 -12.699 -1.665 9.652 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 13.607 -13.932 4.225 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 1.309 -0.031 -2.018 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 -18.381 -14.058 -1.088 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 17.738 -9.995 -23.079 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 2.275 -0.180 2.219 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 17.272 17.804 5.176 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 -10.027 13.586 20.011 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 -2.986 7.644 1.003 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 -2.329 -3.211 15.103 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 -0.805 0.963 10.725 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 -1.147 -2.377 -1.033 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 -15.576 9.471 -0.202 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 4.342 -26.231 -9.136 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 -0.900 -0.403 -7.954 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 6.189 12.625 -3.614 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 -18.094 -8.583 18.754 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 2.724 5.251 1.174 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 -2.789 -1.326 -4.783 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 8.539 13.052 7.955 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 -5.741 4.692 0.428 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 -8.453 26.920 8.476 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 -30.124 -14.062 7.364 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 0.064 -4.317 0.084 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 -14.110 -16.762 -13.624 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 3.510 25.994 3.636 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 -7.765 -0.050 8.103 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 -6.617 -14.116 -22.502 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 -0.472 -9.205 -15.088 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 -0.437 -2.962 0.400 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 1.607 -21.746 -16.802 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 -13.230 0.572 6.550 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 1.072 1.272 -1.961 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 -1.355 4.886 15.386 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 26.203 -13.099 35.553 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 -0.607 -1.449 1.330 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 5.695 -2.970 -1.731 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 -1.800 -3.369 -12.929 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 -2.203 -2.387 -0.075 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 -2.073 -1.987 2.713 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 -4.354 -0.020 -0.817 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 -2.859 5.004 -3.607 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 5.306 -32.891 -30.719 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 -2.418 -18.256 -24.457 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 4.599 2.787 -0.023 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 7.828 -12.697 -13.948 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 -7.406 7.654 -2.582 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 -0.057 4.790 -0.143 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 19.135 1.782 0.280 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 -7.203 -1.960 7.536 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 -5.998 -2.469 1.104 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 -7.193 1.284 1.811 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 -6.832 -5.998 -11.168 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 2.318 -0.702 -2.794 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 -26.796 -7.191 -11.959 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 -6.506 -10.823 22.110 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 -4.803 7.373 -1.272 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 6.119 0.123 3.316 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 -2.669 4.302 -10.445 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 4.720 5.094 4.008 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 6.215 -8.332 8.219 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 -3.178 -10.107 0.079 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 2.769 0.757 -6.980 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 12.334 27.450 12.083 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 13.726 -13.647 9.690 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 1.418 -1.464 2.992 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 2.501 2.130 -1.200 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 0.109 1.751 6.801 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 -5.761 -5.356 -3.388 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 21.757 -9.638 -5.993 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 -20.331 -14.992 -1.140 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 3.181 3.465 -1.474 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 11.383 24.706 -6.675 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 16.768 12.589 26.327 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 -0.656 3.990 3.152 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 -5.877 10.631 -12.066 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 5.231 18.117 12.324 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 1.204 -3.468 -3.487 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 17.422 -6.516 0.051 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 -18.683 -10.106 -5.359 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 1.344 -0.518 2.844 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 -3.140 -7.022 -14.472 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 -1.036 -5.318 -6.434 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 -5.173 -6.052 3.810 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 6.188 -12.453 3.469 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 -8.905 -4.583 7.898 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 3.809 0.838 -4.503 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 3.653 -23.159 1.193 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 1.620 -2.926 -7.545 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 2.116 -1.965 2.697 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 -10.985 -15.568 -22.663 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 5.056 -8.604 13.688 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 2.906 -0.293 1.221 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 -28.267 -19.886 -9.120 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 -15.448 1.994 28.586 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 1.169 -2.390 0.927 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 3.485 -14.506 0.679 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 4.074 -1.288 6.220 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 -3.108 -0.849 1.318 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 -9.608 -23.157 -7.365 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 6.811 1.278 -14.382 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 -3.345 7.994 3.017 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 0.797 4.691 0.026 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 15.035 -6.420 -11.232 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 -2.130 2.941 2.421 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 -21.527 -13.886 14.735 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 19.098 -5.720 5.175 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 0.559 -1.465 3.132 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 -19.761 6.065 13.293 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 27.262 -11.237 20.692 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 5.451 -1.834 -2.716 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 5.841 -9.935 -16.581 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 5.553 0.802 3.157 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 1.360 3.446 -2.521 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 -8.415 -7.297 -0.264 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 14.164 1.186 -7.407 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 2.014 1.846 0.786 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 4.337 4.918 -2.358 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 -3.341 -13.423 20.526 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 -0.504 1.161 -1.112 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 -2.812 12.942 10.495 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 5.620 -5.844 0.716 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 2.335 3.792 -8.235 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 -3.121 -22.070 13.215 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 9.733 15.404 5.587 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 4.062 -7.346 -2.957 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 5.072 -7.864 9.309 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 -16.409 -14.035 4.133 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 1.608 3.043 7.785 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 17.858 16.580 -24.829 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 16.625 -9.043 14.633 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 -6.708 1.332 -6.060 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 -5.959 0.683 3.961 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 -7.289 0.585 -6.923 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 -1.190 -1.134 -0.880 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 -3.083 6.784 -19.781 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 -23.876 8.420 -9.489 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 -10.563 -1.948 2.237 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 -3.794 -14.680 0.808 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 7.202 -0.785 17.668 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 1.745 -3.722 6.363 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 9.616 1.042 9.514 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 1.538 8.187 -11.711 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 0.358 -0.304 -0.236 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 2.198 10.503 7.563 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 -16.967 -19.053 -25.391 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 -0.227 -0.591 0.838 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 11.763 8.952 -5.733 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 2.801 2.495 -6.165 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 -2.303 3.001 -3.812 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 7.114 7.097 -16.804 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 7.469 -7.070 17.892 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 -5.204 4.497 -7.858 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 -9.452 8.182 0.832 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 -5.812 -0.412 -10.054 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 -0.305 1.600 0.965 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 2.357 13.558 16.994 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 2.355 -6.501 12.917 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 -3.612 0.410 -0.982 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 -3.243 -0.407 7.386 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 -3.420 -3.981 -5.513 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 -6.852 5.867 -2.003 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 -8.674 6.058 -3.235 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 -0.082 8.736 23.093 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 0.927 5.081 -1.899 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 5.908 -8.157 -11.919 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 -2.756 22.534 11.397 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 1.906 -2.640 -6.604 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 18.729 32.905 -11.427 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 13.005 -10.628 5.866 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 -4.922 9.534 7.479 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 0.509 16.470 5.934 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 -2.823 14.728 2.498 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 -2.317 -2.370 -7.595 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 13.779 -5.059 13.559 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 -4.631 19.227 -18.297 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 1.847 0.595 5.793 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 -25.323 -12.257 -1.543 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 1.956 -8.710 -8.735 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 -6.574 4.821 -0.671 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 -5.577 7.690 -0.032 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 21.656 13.322 2.827 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 6.806 -1.844 -1.584 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 2.720 19.475 19.526 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 -29.095 -1.436 37.195 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 -2.123 7.475 1.415 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 -1.191 7.494 0.948 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 6.313 7.651 6.523 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 5.204 10.171 1.947 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 10.353 6.441 -4.568 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 -2.201 5.066 2.575 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 5.401 -2.069 -0.501 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 -0.840 -9.683 7.524 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 24.431 -8.880 5.217 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 -0.951 -2.774 -3.789 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 2.696 -5.707 -6.604 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 -2.018 6.510 6.517 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 0.987 -1.791 -0.501 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 -35.819 18.914 -11.150 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 -24.166 13.988 -2.400 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 1.870 -3.961 -1.763 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 -8.236 -3.099 11.976 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 -5.891 12.149 -9.165 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 3.294 2.962 -7.074 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 -1.678 13.739 -1.440 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 20.164 21.129 14.117 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 -2.468 2.716 1.193 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 -13.394 -1.951 -4.822 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 -6.031 15.748 0.942 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 6.992 2.520 -1.459 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 2.910 5.588 -3.542 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 -0.510 12.973 -4.527 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 3.967 -4.033 -5.211 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 -3.383 -7.574 -20.021 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 -22.038 -0.632 -11.918 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 -1.294 -0.613 -5.714 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 -36.044 -11.881 -14.560 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 26.046 7.029 -0.293 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 2.404 -0.676 -6.521 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 -8.603 -6.810 16.904 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 -8.581 -6.796 16.855 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 -1.214 -0.133 -0.013 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 -9.335 -17.336 7.552 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 1.182 -5.717 -2.810 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 -3.735 9.254 1.895 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 -0.631 11.401 0.881 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 -6.928 10.445 2.606 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 5.653 6.831 -0.064 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 11.486 14.057 12.008 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 -3.204 -5.514 3.533 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 -2.126 2.067 -3.341 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 -22.211 6.791 -4.026 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 7.260 11.230 10.889 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 3.170 -8.552 3.901 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 9.579 -13.890 5.130 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 -21.854 -18.532 -6.521 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 -4.415 0.991 -6.863 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 -9.951 13.531 2.138 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 -0.193 -10.939 0.511 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 7.370 -5.699 5.770 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 7.065 -6.267 4.709 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 11.835 -3.653 16.298 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 -12.816 -2.103 -7.348 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 12.784 2.660 1.793 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 -5.803 -1.370 1.587 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 7.591 -4.817 5.222 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 8.152 -0.620 4.460 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 0.253 -0.832 3.567 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 1.325 -0.943 -2.826 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 -1.196 -11.022 10.561 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 8.274 -18.877 -19.842 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 -8.924 -3.832 -3.701 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 -1.220 -7.823 -13.485 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 -2.274 -1.777 -9.137 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 -2.781 6.434 -2.415 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 1.084 -12.214 4.985 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 -16.900 -22.927 -4.344 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 -2.917 -0.934 2.725 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 -7.359 -18.120 -13.298 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 -14.874 4.161 0.852 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 6.595 2.797 -1.518 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 31.423 20.160 -1.586 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 7.259 20.885 -8.317 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 0.204 -4.582 -1.431 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 -18.169 -8.284 -4.898 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 13.633 -9.898 -10.382 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 6.032 9.609 0.428 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 -4.494 -14.962 0.965 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 -2.854 22.151 5.949 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 -2.781 -5.445 0.267 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 2.995 3.512 13.720 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 -7.087 -8.378 -12.838 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 -2.768 2.613 3.166 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 10.442 15.614 -4.949 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 -1.525 -27.952 23.208 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 3.766 -0.423 2.566 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 16.163 -6.889 -20.224 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 5.323 16.691 7.928 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 4.008 -2.662 -12.217 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 8.409 -40.917 -25.055 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 -1.538 -14.253 -21.546 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 -4.925 -5.021 -1.241 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 -13.804 -8.254 -14.547 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 3.966 -13.115 4.191 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 5.037 7.099 0.285 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 6.866 11.122 0.722 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 4.023 11.682 5.315 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 3.775 -6.254 -0.500 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 7.035 12.942 -3.664 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 10.471 27.327 1.341 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 -0.444 6.000 -7.023 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 -4.539 18.231 -20.089 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 3.138 12.970 -8.947 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 -5.856 -3.680 1.084 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 3.219 -1.677 0.151 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 -20.210 -5.446 2.466 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 -4.131 -3.013 -4.585 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 -5.358 -7.161 -8.478 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 -9.338 2.142 1.716 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 -3.270 -2.689 -3.965 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 -2.376 7.099 -2.430 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 -25.724 -13.974 -4.501 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 2.514 -3.965 2.166 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 -1.136 8.873 8.720 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 10.722 -4.035 -1.253 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 0.504 0.321 3.483 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 -0.307 -4.679 -1.703 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 -7.964 17.271 19.231 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 8.395 -10.417 2.440 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 11.694 -5.477 4.506 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 12.180 -4.472 4.817 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 2.986 2.368 3.092 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 -3.694 2.596 0.209 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 8.052 -9.550 -1.291 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 4.832 -0.281 2.064 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 2.394 -25.568 4.495 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 11.773 22.368 9.796 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 -3.256 -0.167 -2.373 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 13.938 3.179 12.568 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 8.311 11.145 -1.543 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 -3.246 7.070 2.495 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 2.987 3.227 4.742 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 -0.242 12.986 -12.925 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 -9.549 2.464 3.398 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 -6.201 14.291 -4.977 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 -1.367 -13.394 -6.404 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 2.885 -7.388 -0.478 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 14.338 -0.013 1.639 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 3.620 -31.659 -1.457 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 3.234 0.859 3.523 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 -8.093 2.882 -7.066 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 -28.295 -1.420 1.869 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 2.027 8.094 -0.043 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 -5.370 12.134 -9.531 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 -13.935 -18.610 -2.377 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 -1.095 4.149 -2.694 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 -3.155 6.658 5.631 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 -1.655 12.751 -7.460 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 0.486 -1.074 3.683 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 -1.874 -11.060 -5.860 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 -0.822 0.325 -1.181 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 4.068 2.819 5.239 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 -0.810 -8.468 -0.835 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 -25.890 17.333 -19.199 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 -1.345 -9.377 -5.296 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 -4.370 -1.490 -11.204 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 -9.812 15.274 15.337 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 0.990 3.446 4.167 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 2.215 -0.934 -8.162 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 -1.532 4.992 10.064 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 7.132 7.271 1.919 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 -11.796 7.250 14.492 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 9.541 21.945 -14.618 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 -6.304 -0.436 -0.378 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 12.308 -0.695 -4.835 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 0.031 -14.205 14.587 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 -2.417 2.379 6.372 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 -9.270 -7.704 7.763 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 8.657 13.883 13.046 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 -6.346 -4.115 9.325 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 -12.436 2.506 3.334 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 7.800 7.393 4.755 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 2.171 -3.347 -2.879 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 3.459 -6.856 -7.726 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 -17.520 2.851 5.085 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 0.148 -3.055 -1.927 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 -8.034 -17.125 -5.598 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 -5.940 6.217 -1.797 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 0.888 3.409 -0.785 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 7.045 -3.889 10.227 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 6.260 -19.505 13.992 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 -3.610 2.485 0.066 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 -17.151 21.568 -3.749 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 0.811 -5.216 1.524 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 -1.376 -1.024 0.308 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 3.940 -14.972 8.606 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 14.017 -11.289 8.643 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 -5.828 2.748 5.287 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 16.712 -20.385 -15.984 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 -9.257 13.027 10.710 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 -2.441 -6.210 -1.501 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 -4.731 -6.292 -9.300 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 0.148 -3.128 23.732 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 0.424 6.566 2.331 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 5.257 -4.608 -30.443 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 -22.644 20.467 -5.112 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 -5.127 0.732 4.987 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 -5.357 1.581 -9.486 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 -37.962 -26.434 3.766 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 -4.771 -2.705 3.019 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 -0.794 -9.652 15.310 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 -10.002 -25.912 -15.690 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 1.144 -0.031 2.318 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 -4.493 -10.818 -7.544 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 1.969 5.063 1.131 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 2.898 -0.152 -7.888 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 21.892 -22.373 -7.746 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 3.942 -9.975 -9.751 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 1.512 -0.166 2.411 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 1.275 -0.463 3.291 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 0.641 -0.458 0.488 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 4.387 -4.606 2.309 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 -4.381 -15.361 -6.703 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 -8.545 6.436 12.455 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 -16.543 6.974 -11.683 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 3.719 -3.833 -13.553 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 -11.464 22.102 -47.664 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 -7.981 2.316 2.395 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 3.339 12.526 23.902 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 -10.223 0.138 -3.010 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 13.242 -3.023 0.768 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 -19.962 8.315 -0.391 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 -16.382 6.940 17.463 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 7.066 7.391 5.424 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 -8.915 5.070 -5.058 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 18.893 -0.419 1.904 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 -3.717 4.827 -4.232 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 -0.940 31.326 8.307 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 -5.796 -2.732 -9.719 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 -1.407 -4.287 -4.324 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 -6.343 0.024 5.305 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 -11.041 -9.069 -5.307 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 -4.661 3.328 0.675 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 -22.474 14.796 20.139 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 -3.854 -22.972 -0.808 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 3.384 -0.654 5.818 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 18.305 5.660 6.141 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 17.242 4.763 6.472 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 -1.438 -1.363 -4.309 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 9.250 6.120 -26.137 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 28.966 22.935 -7.524 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 -3.046 2.547 -5.831 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 -2.012 3.838 -9.647 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 22.186 -5.078 -9.015 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 5.010 -2.185 6.838 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 7.823 6.409 -12.534 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 2.550 -9.306 4.487 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 3.680 -1.767 6.484 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 12.478 4.027 3.504 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 0.803 -3.395 5.349 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 4.956 -1.836 4.267 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 0.677 -15.796 16.123 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 6.612 -2.427 -0.252 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 -2.604 -4.021 -3.640 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 -23.942 9.071 -9.762 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 7.780 -8.664 -26.204 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 -5.231 -0.659 -5.532 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 -5.652 7.367 9.650 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 -14.956 -17.516 -7.187 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 -1.906 -0.921 -5.253 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 13.375 0.405 9.591 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 8.766 2.404 7.037 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 3.646 3.211 -5.276 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 13.981 -16.197 -4.234 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 -0.554 -5.270 0.784 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 5.292 3.417 -1.941 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 14.194 -9.465 6.130 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 18.489 -0.150 -23.366 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 -0.090 4.233 2.252 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 1.579 -7.856 -1.941 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 4.257 -3.311 8.744 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 -5.388 2.873 -6.542 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 12.654 14.158 -10.695 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 13.297 14.985 -21.456 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 9.557 -0.948 -1.811 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 23.852 3.848 -23.954 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 15.843 -6.920 -8.522 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 1.977 4.082 -1.985 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 -10.483 14.761 14.979 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 10.268 -6.529 -18.628 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 3.840 -0.153 -4.006 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 10.472 14.859 -23.534 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 1.803 8.925 7.191 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 6.373 2.699 3.196 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 0.802 19.492 -2.017 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 5.189 -3.542 -8.574 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 4.465 -2.213 1.704 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 -12.924 -14.062 -4.416 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 1.253 -4.261 -8.897 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 -1.138 5.341 2.741 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 -14.935 7.122 -0.695 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 7.255 9.565 13.965 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 -3.328 -1.532 4.777 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 10.572 12.158 7.076 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 -19.733 10.690 8.512 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 11.052 -5.931 2.440 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 1.799 -16.703 1.643 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 15.926 19.137 7.423 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 -6.296 -6.637 -2.218 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 6.203 13.391 -26.023 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 -20.561 -9.030 11.678 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 -7.798 2.537 -1.631 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 -9.606 3.922 -9.484 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 -20.249 7.154 -25.866 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 2.915 9.026 -0.760 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 -18.749 15.740 4.572 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 13.279 -26.383 2.693 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 -1.602 -5.863 -1.091 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 0.569 -6.369 6.946 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 8.039 -19.477 10.631 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 3.923 -5.141 7.899 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 27.221 28.824 29.024 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 15.469 16.684 8.388 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 -0.979 -3.370 -0.634 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 -0.500 -6.711 -6.803 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 -11.456 -13.082 -10.087 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 1.149 4.231 2.463 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 -5.790 3.037 4.385 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 9.686 8.509 0.355 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 5.373 -1.367 2.810 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 -10.718 11.704 6.460 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 4.524 -0.492 6.227 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 10.468 -2.830 6.772 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 -8.136 -23.237 -27.952 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 -3.205 -9.155 11.438 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 1.676 -1.612 -0.489 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 0.292 -7.376 -12.858 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 14.065 13.416 -14.122 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 -9.266 0.019 -5.943 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 -7.029 1.133 -12.385 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 -16.724 6.237 1.951 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 4.621 -1.861 2.333 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 -0.369 8.129 8.718 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 8.497 21.006 -9.910 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 -0.999 1.062 -6.086 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 -12.630 1.778 -20.772 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 5.151 -2.613 3.964 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 -4.779 -1.229 2.465 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 16.280 -0.008 0.638 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 -12.235 17.338 -0.260 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 3.161 -0.454 -0.436 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 6.524 4.005 -8.513 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 6.014 9.970 7.282 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 -0.981 -1.942 -1.166 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 -15.133 -14.610 11.549 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 -13.217 27.359 -15.380 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 -2.673 4.210 -6.287 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 25.404 -9.757 -30.922 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 0.776 -13.593 -10.544 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 -2.404 -0.414 -4.451 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 0.090 -2.581 -15.050 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 13.288 -16.421 4.063 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 -6.945 4.306 -0.207 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 -4.756 -3.918 -10.925 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 8.996 4.575 11.012 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 2.921 -0.966 -7.664 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 6.454 13.528 -13.230 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 4.370 -17.685 0.907 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 1.346 0.200 1.612 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 30.183 -11.532 20.852 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 -14.357 9.481 -0.908 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 0.821 -1.073 2.829 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 27.384 -7.091 9.828 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 -13.724 -5.730 -21.407 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 -4.892 1.217 -0.375 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 -6.580 4.646 2.431 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 -9.941 10.950 -10.392 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 -4.914 3.328 4.136 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 -44.330 -14.761 26.027 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 -19.053 -19.384 -22.395 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 1.065 6.597 -7.689 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 -1.600 12.483 -11.552 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 -10.115 10.864 -7.570 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 2.169 4.969 6.015 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 13.332 -12.640 18.577 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 -15.389 -14.577 5.699 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 3.800 6.945 9.889 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 18.919 21.375 -2.303 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 -2.182 -7.267 -17.323 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 2.308 9.276 4.273 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 -1.822 15.729 -15.788 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 3.937 4.400 24.386 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 0.175 -8.171 -1.126 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 5.475 -11.649 2.700 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 5.122 -11.285 -22.517 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 -2.299 0.213 0.876 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 -1.410 -0.550 17.656 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 -0.700 19.855 -0.902 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 5.443 3.490 3.120 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 -5.345 -8.514 -20.071 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 5.197 -17.001 18.308 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 5.035 -0.056 3.650 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 2.984 -8.373 15.818 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 -3.821 6.980 5.633 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 -3.369 2.900 -3.349 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 -5.815 15.262 -2.634 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 0.707 -8.761 -4.075 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 -3.375 5.311 -1.644 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 0.935 31.206 -23.649 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 20.869 12.037 -1.103 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 2.696 3.172 0.646 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 -4.639 1.373 23.971 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 4.179 -12.900 13.799 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 1.903 -0.019 5.943 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 8.238 -0.011 13.277 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 -42.861 15.591 18.594 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 1.336 -1.229 7.581 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 3.652 0.933 4.379 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 4.577 -4.580 4.188 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 -4.661 4.852 -3.584 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 -0.643 -21.595 -14.761 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 -4.565 -3.702 0.445 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 -0.891 -7.900 2.182 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 6.316 28.791 4.529 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 -5.326 -13.128 1.458 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 -0.472 -4.143 -3.920 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 -15.450 2.977 2.174 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 -15.064 9.417 -1.119 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 4.767 -1.928 0.711 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 -5.489 -6.983 -13.581 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 -7.910 9.920 7.967 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 -3.266 -0.076 -2.890 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 15.214 -10.444 14.261 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 -23.226 -18.865 -3.730 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 6.284 0.319 1.606 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 15.094 -5.798 16.805 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 5.870 -11.207 -9.680 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 -1.191 2.524 2.481 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 -15.212 -8.000 0.781 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 -20.430 -15.839 -7.127 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 1.317 2.703 1.779 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 -10.676 3.269 15.900 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 -0.059 0.869 2.059 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 4.488 -1.893 3.013 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 -5.246 -9.819 4.144 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 1.397 4.524 -6.531 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 6.110 -6.741 -0.585 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 23.022 3.872 -8.677 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 17.426 35.058 15.661 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 0.961 3.072 0.430 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 -12.625 3.343 -5.037 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 17.529 6.278 14.271 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 1.402 -3.226 3.693 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 13.153 2.988 12.031 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 -0.285 -0.664 -10.218 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 -1.572 5.857 3.701 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 11.509 -12.461 7.488 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 -25.406 -3.900 4.665 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 6.318 -5.106 1.981 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 8.805 -3.460 4.437 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 11.225 -17.044 8.010 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 6.677 0.832 0.146 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 9.653 -18.907 -7.375 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 -9.060 -24.694 -0.572 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 2.806 -5.812 -1.249 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 18.475 -25.040 14.352 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 -0.741 -14.276 5.837 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 -7.362 1.560 -11.489 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 -2.781 -0.235 -6.080 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 -11.848 1.402 -0.286 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 0.967 -6.264 -3.881 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 6.535 -12.993 6.004 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 -14.747 -20.536 -22.121 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 -2.710 -0.889 -0.122 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 0.474 2.739 3.531 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 7.583 6.258 7.941 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 -5.046 1.783 1.787 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 -4.156 22.465 -22.674 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 -9.393 -17.858 -0.017 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 -1.420 1.453 1.708 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 5.215 -19.482 19.885 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 1.949 -3.102 -10.506 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 5.482 2.050 2.596 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 8.323 16.235 -3.082 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 21.568 21.488 -17.133 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 -1.348 3.695 -2.120 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 -15.017 -0.628 -7.689 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 4.108 11.737 -0.977 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 -1.500 -4.609 -1.128 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 -17.670 9.076 -2.054 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 -18.625 -9.567 -14.383 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 -1.673 -0.678 -2.770 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 1.721 6.921 -5.046 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 11.226 -8.304 6.675 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 -0.888 4.955 8.471 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 18.830 -21.683 0.002 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 0.928 0.538 4.581 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 -2.587 0.316 -1.709 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 -2.854 2.030 -1.481 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 -5.500 26.212 8.017 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 -1.895 -4.043 -3.770 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 -1.258 -8.462 -3.186 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 1.411 -31.949 2.793 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 -8.824 4.681 -2.333 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 12.393 8.707 -28.417 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 19.170 12.511 4.615 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 -3.678 3.767 -6.777 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 -6.569 -7.414 -16.763 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 3.176 7.384 -10.850 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 2.653 -4.843 0.236 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 -9.498 9.299 -2.897 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 19.833 3.361 -10.210 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 2.610 -5.065 -1.248 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 23.312 26.702 8.463 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 24.241 -5.270 -5.968 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 2.260 6.233 2.710 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 6.678 -2.452 5.883 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 10.540 -4.678 -8.343 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 2.948 7.336 8.123 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 6.217 19.551 -1.364 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 4.988 34.658 -5.622 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 -6.974 4.719 2.685 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 -27.199 20.359 33.894 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 22.499 -22.050 -37.873 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 -2.601 2.178 5.393 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 -18.349 -21.475 1.473 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 15.696 9.117 -9.806 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 3.901 -8.400 -1.855 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 3.095 4.168 9.501 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 1.722 -7.126 0.187 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 1.883 -4.161 -1.484 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 -4.480 -2.687 14.495 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 -17.404 -7.198 -1.560 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 0.774 -3.105 -0.968 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 -18.869 9.560 4.378 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 -4.016 -9.233 -1.209 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 -1.484 3.764 -0.651 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 -0.248 5.982 -15.849 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 -6.721 -6.751 -7.273 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 0.398 5.959 4.522 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 -1.590 8.856 10.940 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 11.023 11.971 7.253 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 6.487 0.891 -2.546 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 15.827 -0.728 -9.638 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 18.464 -0.048 26.720 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 -11.770 -4.143 0.822 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 -2.358 -10.141 4.736 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 -24.402 15.758 -3.131 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 4.709 3.422 -1.059 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 -2.905 12.267 19.597 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 17.077 1.765 -19.391 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 1.996 -1.076 -3.612 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 15.571 2.905 13.513 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 -11.315 -3.442 -17.345 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 7.160 -3.563 -2.620 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 13.475 -14.936 3.207 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 11.772 -10.317 14.025 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 2.818 -12.172 -0.871 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 -1.597 2.572 23.018 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 0.708 -29.729 -5.759 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 -1.685 -6.456 3.118 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 20.576 -10.119 -2.598 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 14.540 -8.547 -15.872 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 2.530 3.677 -1.942 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 -10.389 7.191 1.917 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 15.388 -12.184 9.345 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 4.058 1.487 -3.186 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 12.103 -5.879 -2.256 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 6.983 -6.089 0.651 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 7.158 9.101 5.542 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 19.588 3.649 -5.480 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 -22.438 27.097 -0.384 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 -2.903 3.443 -2.054 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 -1.715 -9.266 16.018 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 -5.107 3.554 -13.808 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 0.154 -8.130 -1.119 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 0.697 -4.905 -0.099 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 3.255 -21.494 -5.650 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 6.104 5.062 2.423 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 12.267 -7.052 -1.996 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 15.993 12.417 7.574 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 -0.401 -4.596 -0.525 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 -6.241 -11.426 -4.253 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 12.070 23.225 2.171 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 0.539 -6.589 -1.351 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 8.867 -11.077 6.703 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 7.919 -24.096 6.112 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 2.215 1.822 -1.512 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 -2.729 -6.217 -7.552 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 5.553 13.074 -7.681 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 4.670 1.462 1.155 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 5.841 -15.040 -16.236 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 6.540 -3.102 -3.044 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 6.452 -2.480 -9.262 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 -0.106 -10.455 -8.751 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 7.537 -0.821 -8.461 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 9.599 10.402 6.813 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 0.903 -16.198 14.080 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 18.087 4.312 -16.316 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 -5.731 -2.688 1.922 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 0.260 -5.793 4.117 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 -11.765 -6.859 -2.662 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 -0.298 4.871 1.009 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 6.409 9.491 -9.906 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 0.934 12.156 5.254 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 -2.184 -4.318 5.006 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 9.069 -2.547 1.778 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 -2.161 -5.083 2.176 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 -4.501 -9.059 1.692 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 -12.330 -27.209 6.254 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 1.259 -1.173 -4.121 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 -4.321 -2.355 -3.658 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 0.489 -1.630 -4.418 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 -28.441 3.137 -4.274 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 -6.053 6.017 1.806 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 -22.747 -0.595 -14.851 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 -0.438 0.980 4.835 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 -0.800 2.606 1.489 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 20.545 -7.481 -0.223 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 21.862 -12.129 4.075 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 1.264 -3.567 0.036 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 -8.630 13.955 8.254 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 -3.369 20.110 -12.981 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 1.578 -4.885 -5.650 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 11.493 -8.326 18.030 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 -3.346 8.644 -2.093 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 0.911 4.747 -1.302 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 8.300 -17.668 1.599 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 -22.250 -2.010 -15.754 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 5.500 0.203 -4.073 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 -2.143 24.517 -7.556 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 10.732 -21.293 -6.010 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 -5.206 -4.250 -10.061 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 -5.324 4.707 4.867 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 15.379 4.084 -22.189 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 -1.658 4.224 3.692 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 23.463 9.324 -8.686 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 6.879 -12.315 -1.390 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 5.075 -6.510 3.305 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 17.806 -23.958 -1.771 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 0.811 -1.634 3.944 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 -0.475 3.274 1.210 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 -13.726 -7.147 2.723 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 -16.618 2.146 5.569 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 -0.222 -4.997 4.401 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 -4.252 -14.366 13.528 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 -2.365 1.180 9.626 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 2.521 6.323 -1.324 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 6.828 1.477 3.794 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 -2.238 3.788 1.454 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 -0.796 8.775 0.465 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 -0.094 19.339 -1.399 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 8.606 8.164 6.962 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 -0.631 4.469 3.236 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 14.735 17.989 -4.600 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 -3.115 -4.817 9.522 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 0.349 -1.771 -3.924 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 1.289 13.043 -7.909 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 -2.145 3.251 -7.563 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 -2.680 -0.133 -4.179 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 -17.298 -24.123 -8.644 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 10.734 36.433 25.856 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 -4.223 1.225 4.728 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 -7.961 -0.282 2.906 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 -16.509 6.289 8.733 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 -1.127 -1.856 1.715 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 -10.023 -3.339 13.841 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 -6.246 -8.200 6.358 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 2.617 -6.195 2.625 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 1.543 -7.564 -11.636 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 16.879 -25.788 -1.683 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 3.385 2.340 3.516 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 12.569 13.514 14.608 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 8.575 -0.001 14.538 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 3.208 2.862 -0.721 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 14.670 1.637 0.111 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 21.394 14.449 2.909 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 3.375 -0.083 -2.288 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 17.487 17.327 2.562 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 -3.275 -13.694 0.738 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 6.695 -4.538 1.869 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 -2.359 7.477 -2.498 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 -1.885 0.340 8.375 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 -4.016 -1.522 -1.235 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 -6.349 2.835 -12.789 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 8.439 -12.145 -0.975 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 5.432 -2.382 6.255 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 14.010 -9.465 21.131 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 -13.035 19.215 -1.504 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 -2.395 -3.657 0.920 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 -4.058 -6.714 4.173 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 -0.100 15.474 -19.557 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 -1.562 2.366 0.710 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 7.034 7.496 0.507 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 2.225 0.714 2.812 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 1.298 1.017 -1.448 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 7.852 -1.857 6.189 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 1.014 12.065 -0.543 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 -4.960 -6.112 3.344 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 -4.525 -6.479 7.568 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 -7.288 -7.414 2.170 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 0.224 5.507 2.832 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 24.442 0.800 -12.198 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 8.093 10.771 -9.008 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 1.994 6.338 -5.763 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 7.534 8.932 -3.138 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 4.936 0.758 -9.518 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 0.591 -4.555 -4.162 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 -26.691 -16.641 6.573 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 1.655 2.819 -3.163 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 -2.302 -0.758 2.485 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 -4.638 12.985 5.197 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 5.980 -31.721 -0.801 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 0.594 9.972 -1.394 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 -25.095 -35.936 9.066 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 -7.827 -13.511 -5.620 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 -0.845 -1.718 -2.369 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 9.586 6.491 -18.347 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 6.160 8.923 -10.544 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 5.348 -2.815 -3.987 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 13.612 -3.420 -3.598 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 -11.569 2.488 -7.757 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 -3.936 -0.282 -2.939 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 0.529 6.276 0.837 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 -13.085 -5.943 -7.585 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 -0.413 -2.499 -2.164 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 9.218 12.967 2.651 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 -33.025 -29.127 -11.858 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 4.491 -2.323 -1.128 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 -6.608 -11.964 4.586 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 8.607 1.564 5.297 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 -3.487 1.775 -4.177 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 9.013 -0.842 8.160 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 -5.542 -8.693 -9.514 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 1.665 1.936 11.481 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 24.140 16.205 1.638 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 5.095 -3.438 0.606 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 0.302 -5.389 0.897 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 -4.720 -15.069 -4.055 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 -11.711 8.900 -11.002 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 4.153 5.814 0.539 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 -0.705 29.954 -15.090 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 6.779 12.761 -9.026 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 8.118 2.509 0.237 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 -8.662 -8.874 -11.523 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 5.285 24.638 -5.908 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 6.627 -0.479 -6.418 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 6.660 -5.016 -0.590 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 9.491 8.171 3.225 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 0.256 -9.756 3.316 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 -0.146 -6.356 -4.023 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 6.001 -14.378 -3.698 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 -0.269 1.338 0.902 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 9.638 -4.498 9.675 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 12.503 -20.849 25.058 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 -4.738 -5.126 0.293 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 -7.051 1.843 -3.604 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 -10.115 0.698 5.094 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 1.663 -3.939 0.813 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 1.159 -9.715 3.471 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 -2.358 -14.137 -1.614 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 2.423 3.135 -3.576 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 9.319 7.188 -12.907 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 8.671 8.651 2.193 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 -3.479 -4.198 2.297 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 -4.260 -4.029 0.744 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 -2.708 -5.711 5.155 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 -10.228 3.089 -4.937 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 -37.246 13.764 15.237 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 -11.092 3.704 -4.243 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 -1.997 -2.139 -8.677 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 -2.559 17.973 3.758 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 3.181 5.495 -2.103 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 -3.686 -6.075 3.458 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 -0.286 1.561 -11.437 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 9.831 -14.247 -24.885 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 6.914 0.103 3.485 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 7.213 6.425 -2.144 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 -16.824 -14.346 9.781 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 3.105 -0.315 1.562 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 16.916 0.651 15.910 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 14.886 10.484 -4.293 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 -7.278 8.167 1.187 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 -7.469 6.187 1.414 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 -10.500 -5.401 3.099 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 2.213 5.000 2.536 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 8.001 -3.591 5.594 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 -13.868 13.443 2.360 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 -0.982 -4.973 -1.070 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 5.937 0.760 -14.508 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 8.012 -1.804 17.630 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 1.443 1.497 -1.171 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 11.498 1.082 2.612 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 2.996 5.936 -0.324 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 2.180 2.464 2.191 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 -0.499 0.746 7.269 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 5.156 4.265 -2.134 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 -5.438 -0.929 0.657 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 4.121 -4.182 -8.283 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 -8.906 8.624 -3.751 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 0.232 1.131 -2.334 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 -14.480 -2.710 -3.077 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 7.523 -0.412 -3.621 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 3.663 -2.635 2.049 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 8.705 -2.199 2.075 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 7.321 2.075 -2.655 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 0.558 -2.034 4.286 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 -9.071 -1.764 2.356 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 14.697 -2.728 4.423 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 4.887 -2.449 -1.056 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 1.659 5.968 -7.838 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 7.274 -6.176 2.087 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 1.131 -0.229 3.438 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 13.581 9.316 11.508 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 1.921 -16.752 -0.169 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 -1.057 -0.512 -2.619 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 -2.384 5.984 0.726 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 5.581 -27.752 -23.648 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 2.567 -5.605 8.493 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 2.037 -27.373 0.590 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 -3.511 2.118 22.078 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 4.969 7.708 5.455 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 41.126 24.454 -11.949 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 0.291 -0.344 -5.102 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 1.912 0.518 -6.891 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 13.317 -8.746 15.891 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 -3.662 6.809 -6.885 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 0.629 -1.931 2.879 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 -3.352 -14.313 7.746 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 -6.064 7.892 7.140 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 0.955 -6.207 1.241 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 -1.427 -1.840 -14.454 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 3.107 -7.929 -19.578 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 4.225 -1.864 -0.633 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 -5.418 -18.950 -8.106 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 -5.498 10.886 1.667 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 7.462 3.688 2.511 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 5.132 4.662 -4.591 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 4.609 2.303 7.441 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 -0.668 -2.472 -1.598 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 -34.954 2.005 14.283 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 24.260 -16.050 -15.206 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 7.016 -2.699 3.081 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 17.604 1.656 -2.398 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 -12.250 -17.771 17.793 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 -0.896 -4.698 -2.806 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 -18.309 9.326 9.966 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 -2.483 1.658 -23.324 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 -5.717 -4.478 1.137 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 2.692 13.916 11.753 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 -33.487 5.728 -2.398 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 2.702 -5.066 4.437 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 16.693 -5.941 5.335 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 -11.075 -2.308 1.287 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 0.101 8.212 -3.842 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 3.328 5.530 -5.266 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 -3.428 8.618 -12.185 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 0.976 3.087 0.816 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 8.172 16.306 -1.484 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 18.313 -9.455 -1.064 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 2.744 -2.307 6.391 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 -3.982 -7.351 -10.521 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 8.067 5.338 -1.198 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 -0.816 0.873 -0.667 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 -26.576 3.839 -4.578 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 2.264 -19.913 12.530 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 -3.065 5.604 -5.665 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 -14.273 -14.253 -4.990 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 -8.782 1.340 -9.350 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 -4.915 10.411 3.194 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 -3.710 5.180 -3.383 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 -4.685 17.485 17.671 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 -4.389 -1.775 0.707 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 20.545 -7.548 -10.484 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 -11.088 6.014 19.003 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 4.549 0.742 -6.477 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 4.297 -5.553 0.130 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 5.936 1.520 -12.423 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 -3.009 0.713 -4.462 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 1.719 12.273 -5.987 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 0.289 6.872 -1.557 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 -4.114 0.480 6.098 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 -8.576 8.809 -1.043 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 -9.085 8.901 20.208 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 1.148 0.399 -0.929 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 -6.202 9.944 1.890 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 22.610 -15.326 -13.611 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 -4.379 -5.067 -5.655 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 7.074 -23.377 -8.390 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 -8.659 10.341 -4.877 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 -3.371 -2.583 -3.732 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 -10.612 -12.150 -11.825 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 3.086 5.353 5.114 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 7.110 -1.240 5.154 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 -10.239 6.857 4.455 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 -0.305 -17.815 -2.893 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 -5.115 -9.297 -5.158 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 2.654 -11.043 -21.083 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 1.362 5.096 -6.893 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 1.184 0.913 -4.645 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 -25.797 20.098 -10.430 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 10.015 11.642 -14.106 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 2.752 -1.143 4.101 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 7.433 -3.694 4.821 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 6.066 8.776 12.218 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 3.743 7.554 1.827 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 3.008 -2.738 11.174 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 -6.081 8.186 11.870 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 6.314 -7.150 -3.122 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 6.351 -4.377 -7.028 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 -0.538 0.990 4.246 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 4.436 -4.500 -3.419 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 -18.441 -15.457 -1.471 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 23.121 -9.180 -5.618 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 3.357 0.838 0.669 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 12.352 7.292 -0.445 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 0.900 -20.091 6.889 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 1.600 1.050 3.436 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 1.044 -6.701 23.943 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 23.545 9.011 0.051 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 0.299 -2.200 3.550 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 22.230 -3.215 28.497 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 -6.703 6.625 12.928 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 -5.086 -3.062 0.180 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 6.380 11.915 -4.370 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 2.557 -10.685 -14.793 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 -0.709 -1.838 -0.243 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 -2.481 18.436 2.934 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 -13.471 0.783 -15.508 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 1.971 -0.427 2.440 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 2.205 -12.502 -0.170 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 0.748 25.971 6.982 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 -1.303 -1.942 8.959 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 -3.263 2.877 7.853 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 2.942 11.307 1.533 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 -1.751 -0.466 -3.023 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 6.825 -5.762 -9.023 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 -9.728 -3.835 10.230 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 -2.079 -12.568 0.026 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 -2.777 -8.445 3.552 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 0.079 -18.196 -7.220 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 -0.589 2.913 2.016 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 12.394 -18.742 0.600 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 -21.452 32.680 -3.722 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 -1.694 -3.053 2.419 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 -17.496 -17.461 -2.105 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 0.181 -3.266 15.180 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 5.272 1.719 2.842 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 5.258 -10.918 19.632 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 6.394 -1.926 2.277 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 1.617 5.146 -4.859 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 7.492 1.635 -0.910 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 -0.277 11.956 8.502 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 -2.910 -0.459 0.634 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 -3.515 -1.007 0.068 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 0.504 -1.164 0.767 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 -11.204 8.759 3.152 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 -15.041 1.949 4.041 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 -28.189 -25.691 4.435 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 4.619 -2.570 6.982 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 -7.215 -25.993 -2.656 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 -18.678 26.157 12.572 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 0.834 2.034 0.301 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 -27.594 2.543 -0.221 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 6.579 -17.828 17.629 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 8.104 -8.145 -2.201 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 8.640 -8.609 -8.469 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 13.026 -13.043 1.228 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 -3.617 -1.322 0.557 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 -1.785 -6.739 14.938 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 -2.934 1.393 -15.168 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 -3.877 0.416 0.575 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 -5.188 -9.569 -7.222 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 -5.586 -13.040 -10.091 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 1.383 2.318 -4.209 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 -0.085 9.937 5.976 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 0.639 5.937 1.039 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 -2.020 0.860 2.453 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 1.184 3.569 0.477 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 -19.899 3.047 8.452 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 -5.094 4.706 -5.963 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 -19.174 0.689 5.345 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 -9.914 3.478 -2.557 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 -2.084 -4.430 -2.105 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 -20.048 -10.091 -6.339 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 8.273 -7.913 3.159 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 2.104 1.022 -3.026 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 -13.577 19.852 -8.567 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 7.206 -1.306 14.481 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 -2.845 0.959 4.314 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 -12.087 2.428 -0.538 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 4.180 4.905 2.994 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 0.055 -1.175 2.487 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 -6.594 11.747 22.080 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 -8.640 5.375 5.198 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 2.277 -0.012 -0.617 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 2.674 -5.253 -3.243 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 4.061 -2.552 -17.010 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 -1.181 0.522 -6.041 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 -11.298 13.284 4.012 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 -5.078 14.211 -9.063 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 -10.429 2.641 0.336 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 -7.048 18.339 14.587 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 -9.882 11.984 -15.401 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 2.606 -6.595 -2.905 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 2.238 -10.219 -15.608 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 -6.738 -10.535 -0.042 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 5.910 -2.877 -6.306 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 -11.178 10.322 5.965 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 26.520 -1.274 12.814 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 1.536 0.803 3.922 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 4.201 -16.524 -0.336 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 -13.311 -8.284 -16.299 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 2.485 2.668 0.624 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 -43.148 0.838 14.500 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 -0.858 -1.501 7.030 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 -4.757 3.307 -3.605 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 -15.534 4.221 7.263 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 14.068 -2.775 -12.062 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 5.951 -3.336 -7.167 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 8.539 10.579 -2.407 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 5.837 -10.882 6.164 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 3.735 1.309 1.955 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 -6.995 0.615 -7.011 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 -7.627 0.681 -7.881 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 2.142 1.947 0.230 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 -6.834 4.952 -19.516 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 10.999 -17.908 6.641 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 -0.397 -5.351 0.612 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 -0.491 4.189 0.295 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 -11.480 4.452 -10.509 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 3.381 -3.879 -1.686 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 -7.813 0.002 -32.234 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 -0.639 -6.300 -2.187 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 4.689 -0.930 7.489 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 4.570 9.677 11.746 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 -5.056 4.724 5.537 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 -2.676 -2.353 -1.050 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 12.869 -13.516 11.548 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 7.058 -7.861 6.452 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 0.051 -0.121 -2.016 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 -8.371 -14.612 -7.264 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 -14.002 -1.750 -15.250 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 -8.237 5.661 2.700 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 0.763 -3.022 3.968 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 10.436 -11.067 4.772 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 -8.870 7.657 1.567 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 17.390 -11.599 -2.412 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 -0.723 10.231 9.380 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 9.475 -1.738 -3.331 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 6.963 -0.656 -1.279 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 8.133 -3.195 -0.407 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 -5.144 3.247 -4.334 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 -3.637 -3.462 -13.703 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 29.302 35.702 -8.176 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 -3.172 -4.406 5.201 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 6.685 -12.982 15.541 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 -6.382 -4.478 -3.201 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 0.696 2.404 4.702 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 -18.695 -12.983 -5.796 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 -18.553 -27.249 2.555 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 -13.168 0.549 -6.200 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 -11.708 7.469 -17.390 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 -9.547 9.329 4.220 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 -2.768 -2.695 -0.021 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 -3.936 -1.590 1.557 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 -16.297 8.651 -1.009 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 -2.209 -0.245 -1.369 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 -7.077 11.981 22.998 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 -3.555 4.117 5.655 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 -4.614 11.544 -0.142 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 -2.989 6.144 7.327 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 -6.583 -10.869 3.829 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 1.959 1.757 -1.751 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 -6.369 1.328 7.801 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 -4.958 -7.039 -21.528 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 -6.466 -4.545 2.479 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 -5.014 -10.871 -6.925 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 28.520 -3.386 -0.414 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 5.912 8.304 2.755 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 4.193 -7.426 16.173 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 18.444 -3.776 -19.401 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 -1.542 4.606 0.775 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 -6.201 4.127 14.583 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 -1.853 -18.763 -23.267 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 0.236 -3.186 -4.384 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 -15.570 13.901 -10.587 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 -4.729 1.166 -7.486 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 -2.436 -3.693 -2.197 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 -3.492 -14.936 -17.635 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 -4.283 4.187 -4.349 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 4.239 3.296 -1.414 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 -0.391 6.238 -6.104 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 0.855 9.130 -1.508 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 5.995 -7.552 1.997 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 2.321 -8.128 -4.453 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 -10.882 -5.222 9.584 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 -0.595 -3.150 -8.786 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 -2.723 2.661 -35.820 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 10.556 -3.124 -2.259 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 -1.019 9.021 2.851 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 1.380 -6.244 -5.705 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 -11.059 -1.635 16.513 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 -5.358 4.721 0.209 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 -9.360 1.584 -5.249 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 -11.625 0.910 -9.914 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 3.483 -0.432 -4.323 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 -25.390 -6.424 1.404 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 -13.028 -1.013 -1.932 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 -3.946 1.287 0.631 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 -6.656 8.078 -6.451 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 -12.270 -8.630 -6.164 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 -8.794 0.797 0.021 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 -2.133 -5.149 12.177 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 -16.323 2.795 -9.526 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 8.252 2.443 2.775 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 7.137 4.927 1.913 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 9.889 5.318 5.570 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 -1.652 5.145 7.241 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 40.577 -0.453 26.772 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 0.980 3.846 10.951 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 -10.963 1.446 -2.044 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 12.002 5.865 -44.809 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 -8.627 -9.511 -6.894 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 2.047 -3.480 2.568 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 -9.636 -12.994 -11.553 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 0.902 -16.455 -20.124 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 3.861 2.485 -7.794 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 5.589 -11.097 -16.560 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 -27.345 24.369 2.778 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 -0.620 4.591 0.504 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 19.108 -5.429 7.428 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 13.024 12.396 5.042 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 2.612 3.442 -2.428 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 -15.320 17.457 -10.366 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 -22.825 21.103 -13.089 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 10.313 3.335 -6.850 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 5.191 -9.636 -16.747 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 -25.409 -0.521 12.715 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 -1.717 2.532 2.861 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 13.674 -17.572 9.604 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 10.819 11.254 -21.976 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 -2.018 -1.166 -6.242 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 3.532 -13.523 -11.429 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 8.222 5.399 6.834 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 3.136 -0.837 -1.666 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 0.039 24.081 1.222 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 24.575 -3.562 -4.645 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 -0.131 -2.422 2.402 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 -1.931 -8.869 6.387 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 -8.474 -12.405 9.521 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 -1.031 6.374 0.339 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 9.542 -6.076 10.742 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 -4.404 7.877 -16.486 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 4.279 -3.119 0.073 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 20.195 11.337 11.280 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 -20.121 -8.252 22.709 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 2.188 2.350 -6.014 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 2.583 12.499 41.116 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 4.903 -13.024 -11.027 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 2.456 3.687 -0.365 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 -21.260 -18.679 15.037 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 16.322 6.081 -10.594 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 -0.377 -2.737 -1.554 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 0.961 4.651 -5.760 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 7.303 0.702 -6.571 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 1.109 4.952 7.052 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 -1.777 11.105 5.267 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 -7.607 -7.244 13.213 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 5.890 -5.016 -1.441 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 5.312 -11.245 6.662 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 -3.528 -14.454 11.040 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 4.332 2.131 0.729 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 13.372 15.349 -17.457 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 -16.036 -8.857 -15.397 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 3.165 3.726 1.428 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 -4.034 -7.432 -16.757 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 14.830 -14.766 8.949 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 -0.699 4.873 0.148 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 18.508 15.029 9.554 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 -7.148 -0.228 -10.030 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 4.100 -3.205 1.134 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 12.353 3.980 -11.329 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 -11.208 -0.140 -5.685 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 -3.521 2.435 9.709 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 2.735 2.542 0.408 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 -0.933 -0.138 1.072 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 4.654 -1.646 -0.090 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 21.127 -15.859 -1.447 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 0.107 -4.631 -9.784 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 7.114 3.561 2.837 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 3.199 3.120 4.749 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 25.640 -7.192 5.508 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 3.908 2.178 -2.012 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 -15.245 -11.807 5.707 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 26.529 1.593 5.062 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 0.551 0.375 -0.097 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 8.486 6.255 4.164 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 13.352 -6.708 -0.518 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 -0.601 3.610 -1.562 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 -4.005 -11.672 12.666 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 -3.034 -2.748 -19.641 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 -0.884 2.895 6.070 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 -9.822 8.695 3.514 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 -1.982 6.880 11.925 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 -2.533 6.186 -9.464 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 4.245 9.178 -8.096 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 -2.309 -0.358 -7.886 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 -2.609 -2.122 -1.915 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 -1.757 0.065 -1.437 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 6.355 30.547 3.378 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 -0.059 -3.316 3.895 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 -10.646 -9.241 0.107 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 -32.187 -0.838 1.167 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 0.393 -5.891 -0.635 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 -11.107 -1.897 -30.443 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 9.838 0.493 36.964 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 -5.464 2.702 -1.973 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 -20.745 -14.294 17.538 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 14.974 11.920 -13.821 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 6.127 -4.494 -0.004 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 19.365 -0.809 -2.257 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 -11.349 -11.850 2.174 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 -2.494 3.632 5.271 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 10.361 1.916 -9.673 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 -6.702 1.043 13.103 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 -6.743 0.011 -3.995 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 25.495 -15.078 8.651 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 -41.385 8.784 6.929 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 0.208 0.914 2.428 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 5.657 4.656 -2.905 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 -6.207 -2.613 0.290 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 -3.195 -1.058 4.178 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 -1.134 5.401 7.748 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 -17.247 -16.552 -36.095 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 -3.480 1.749 2.450 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 0.148 -17.892 -4.252 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 26.056 -9.264 17.205 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 1.330 -0.721 -1.473 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 4.530 -7.784 -12.918 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 8.828 -15.252 -26.608 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 1.022 -3.883 2.893 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 16.737 17.778 8.259 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 16.354 34.560 -29.795 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 7.727 4.126 1.032 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 31.654 8.314 -3.661 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 -0.620 25.276 -6.156 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 -2.727 -1.810 -5.271 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 -11.434 -8.814 -11.607 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 13.022 8.661 20.833 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 -5.219 -5.424 -6.541 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 -4.562 -3.059 -18.198 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 -7.052 -9.610 2.998 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 -1.352 -2.706 -0.405 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 -6.892 5.204 -3.863 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 12.233 -13.472 1.215 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 -5.577 -0.019 -6.469 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 6.446 0.381 4.915 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 12.120 4.656 -10.086 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 3.234 4.792 0.425 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 27.737 -10.657 -10.478 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 -0.691 19.803 20.733 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 -1.566 -2.933 2.491 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 -11.283 0.779 -11.829 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 -10.070 -8.815 -9.530 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 -1.820 2.830 -4.546 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 -9.371 -25.740 -10.121 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 -0.167 8.151 -0.352 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 -9.490 5.063 -2.244 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 1.950 -18.743 -12.475 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 -21.257 0.361 23.937 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 -0.843 2.312 9.196 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 21.131 3.040 5.914 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 14.838 3.947 5.825 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 1.381 -7.455 0.325 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 6.053 -22.238 -13.560 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 1.975 3.248 -0.524 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 -2.190 -1.487 -0.346 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 -7.829 -17.252 -9.332 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 2.783 4.139 4.458 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 2.129 -1.009 -2.680 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 -11.600 16.042 15.322 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 -19.430 -6.924 -7.695 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 -4.338 -0.209 -10.158 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 -8.612 -8.615 -10.962 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 -4.308 8.972 -4.442 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 1.792 -7.262 1.567 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 9.946 -5.568 -3.821 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 14.773 0.903 -11.129 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 0.281 7.703 -1.829 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 -5.734 5.225 -5.380 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 0.749 8.179 9.882 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 -2.746 1.940 1.391 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 -5.941 12.176 -16.859 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 0.563 -6.578 1.710 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 3.863 -1.603 0.126 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 19.540 5.403 -10.360 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 5.633 -41.057 12.289 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 3.227 0.696 -5.876 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 -5.037 -2.630 -3.164 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 1.495 6.783 -11.377 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 2.779 -1.262 -0.334 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 -31.018 -14.628 -15.530 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 -12.365 29.072 -16.742 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 -1.170 -3.532 1.300 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 -5.314 8.412 -14.429 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 5.270 -42.046 -5.498 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 6.079 -0.342 -7.658 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 5.338 9.166 1.758 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 10.684 -1.010 -7.043 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 4.219 8.213 2.564 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 11.647 -0.031 10.359 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 -16.917 13.568 1.785 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 -4.853 -1.252 -0.820 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 -4.110 -10.379 16.177 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 -12.756 -9.730 -13.978 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 0.349 -0.470 -0.919 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 27.234 13.428 27.617 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 -19.174 12.934 -4.457 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 2.264 3.274 -0.706 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 11.584 8.928 9.565 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 17.815 25.782 -13.151 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 2.221 1.340 -3.733 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 0.768 7.750 3.985 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 15.347 -5.537 11.912 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 -5.095 6.414 -0.066 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 -2.118 7.996 -9.336 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 -14.449 3.826 29.442 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 -1.263 0.527 2.414 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 0.104 -0.041 3.281 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 -2.363 -0.538 4.265 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 0.875 -0.967 3.762 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 -8.783 20.127 -2.717 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 16.151 -3.147 27.838 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 2.524 0.099 -6.725 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 -18.510 0.738 -1.325 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 -18.154 -22.488 -4.212 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 -7.759 -12.788 -1.086 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 7.159 -9.688 -6.665 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 -3.405 -4.474 -12.976 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 -0.160 -0.103 -7.765 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 6.587 1.887 -3.424 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 -3.202 -7.524 -4.616 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 -1.455 0.856 1.381 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 9.527 25.770 19.100 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 5.364 11.545 -25.385 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 1.551 1.502 -1.456 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 -9.803 13.983 -7.317 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 -8.695 12.587 -6.169 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 3.016 0.992 1.686 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 -2.038 7.625 -1.868 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 21.524 19.401 -4.989 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 -1.750 -0.149 1.778 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 4.620 9.937 -16.286 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 -13.088 0.475 -7.696 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 5.091 0.970 3.593 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 2.147 -3.585 6.820 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 10.583 -6.767 -1.683 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 0.484 1.499 1.413 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 -14.782 20.712 12.171 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 8.286 -20.190 -17.796 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 1.144 6.888 -0.083 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 -23.690 11.178 50.552 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 22.491 -0.114 -17.776 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 -4.559 -6.304 -1.369 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 15.000 1.900 -4.397 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 -5.543 2.921 11.799 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 -4.025 -1.450 -0.303 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 -0.621 -1.677 -2.982 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 -2.973 -0.776 4.877 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 0.195 -2.657 5.158 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 -12.204 13.735 -14.381 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 14.058 -5.989 10.039 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 -4.009 1.734 1.863 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 8.417 10.262 4.043 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 18.746 0.460 1.658 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 -9.603 3.413 -0.623 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 -6.290 -28.574 13.192 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 -26.550 5.884 -3.281 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 2.707 0.257 -1.653 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 4.363 12.816 -0.785 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 14.082 -2.499 -5.968 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 -0.295 -4.871 0.691 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 -19.697 2.379 1.350 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 -8.402 5.120 9.516 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 -0.495 0.374 -0.491 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 26.470 9.947 17.485 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 -9.186 10.105 -2.658 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 7.128 -4.195 2.082 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 -29.478 -9.901 29.398 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 -5.130 6.481 2.158 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 2.033 0.047 -6.561 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 -3.619 2.605 -3.127 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 19.886 -6.878 -21.057 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 -4.128 -1.716 -6.550 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 -33.742 -5.602 10.483 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 -10.528 24.008 -14.544 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 3.836 6.026 1.984 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 6.444 19.779 3.481 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 -2.796 8.161 -2.495 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 0.633 -2.679 -2.645 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 -0.888 13.159 -12.409 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 -13.238 12.903 14.696 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 -2.155 -5.821 -3.633 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 10.667 7.417 -24.027 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 -3.452 -14.035 -4.469 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 1.006 -5.563 3.596 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 -11.361 14.455 4.518 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 15.652 7.314 6.994 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 -1.199 -0.961 -4.529 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 -3.171 -6.879 -22.024 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 4.965 -7.016 -12.602 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 4.040 6.459 -5.915 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 -22.421 1.479 32.723 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 3.854 28.004 -0.693 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 3.168 -3.559 3.588 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 2.038 -14.956 -3.656 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 1.267 -24.564 -11.330 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 4.637 -0.024 -0.252 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 -10.703 -11.604 -3.749 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 -16.474 11.933 -7.620 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 -3.519 1.649 -2.573 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 -5.089 -3.481 13.935 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 -25.672 -16.975 13.778 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 1.855 -5.272 -0.066 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 -8.151 5.429 0.126 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 -14.586 2.534 -6.817 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 5.857 -1.458 -2.041 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 -5.997 -12.554 6.750 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 11.729 5.015 -17.403 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 -2.728 -9.875 2.649 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 19.300 5.793 1.591 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 -1.613 -3.592 -3.803 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 0.607 2.315 -1.905 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 13.472 6.140 6.847 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 -4.232 -12.267 4.093 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 2.086 -1.324 1.654 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 4.190 6.847 3.180 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 0.656 -4.556 -4.859 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 -3.720 2.161 0.713 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 3.896 -12.437 -0.373 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 -7.945 -0.423 -12.619 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 -0.581 2.772 2.338 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 -9.621 -9.367 -3.241 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 5.471 7.390 -26.337 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 -11.691 -1.106 -5.157 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 -10.275 8.383 -22.214 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 -8.379 -0.141 5.650 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 2.817 3.510 4.645 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 25.128 7.828 -7.205 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 -24.397 -37.810 22.550 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 -2.133 0.013 -5.694 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 8.707 -15.809 -8.899 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 -11.269 20.347 -4.944 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 1.528 0.575 -4.393 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 8.289 -16.272 11.126 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 4.127 -8.966 3.026 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 3.940 2.744 -1.130 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 8.308 2.348 -8.604 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 -5.100 7.215 -8.583 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 4.345 0.302 0.460 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 6.513 8.319 0.676 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 0.043 -6.597 1.422 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 4.365 -3.949 -7.343 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 3.651 11.825 -15.781 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 16.325 -5.024 -2.538 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 -4.465 3.843 -0.323 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 -0.941 -1.419 -7.979 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 -12.704 1.501 1.096 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 1.662 2.606 -5.850 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 -11.581 14.271 -11.432 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 13.471 -11.173 5.070 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 9.150 -0.858 -4.173 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 5.131 -3.857 4.464 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 9.968 2.103 10.350 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 -0.179 8.695 3.540 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 5.232 11.408 -15.276 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 11.213 6.819 -4.114 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 -1.441 -2.434 13.522 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 -32.992 -13.391 -12.668 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 9.809 -11.475 25.555 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 2.612 -3.544 -1.013 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 0.151 -10.127 -18.796 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 4.623 -16.740 2.059 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 -1.305 2.041 1.439 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 -7.800 -8.898 6.455 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 -4.813 10.619 4.881 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 3.700 -0.520 -5.267 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 1.785 -1.437 23.237 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 -1.555 6.279 -7.393 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 -2.558 -6.061 -1.894 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 -6.924 -14.470 -4.960 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 -13.662 -24.695 -3.251 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 7.869 3.356 2.063 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 34.487 -3.951 5.043 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 2.125 -3.876 -29.831 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 -5.736 -1.434 -0.980 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 6.105 -8.172 8.415 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 -15.906 -23.341 -31.046 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 -2.792 4.101 -1.016 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 -5.965 1.007 -1.341 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 5.742 -2.190 -2.552 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 4.588 -2.313 -0.163 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 -20.983 -13.883 -12.606 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 -1.605 -0.894 1.188 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 1.384 -4.417 3.554 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 7.192 -0.445 -11.628 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 -15.436 -22.109 -0.938 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 -5.435 0.961 7.705 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 -3.591 -13.164 0.905 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 -7.341 7.403 10.427 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 -4.603 6.172 1.989 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 6.338 7.253 13.761 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 7.693 -27.041 -0.729 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 -5.142 -0.927 -3.923 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 -0.931 4.123 -0.132 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 -4.662 1.257 -8.894 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 -1.082 -3.622 5.112 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 7.633 30.317 9.094 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 12.215 -33.908 -11.531 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 -2.618 -6.858 0.988 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 -9.746 13.807 25.675 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 -2.475 3.544 2.554 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 7.475 1.251 2.542 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 1.394 -1.020 -1.699 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 10.161 2.994 3.120 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 3.381 -4.225 3.111 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 -19.809 -0.306 21.409 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 -8.314 -7.438 28.021 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 -3.410 2.284 -5.869 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 -3.116 7.121 -2.744 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 4.782 -7.174 -11.147 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 8.572 -0.700 2.144 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 -17.049 5.575 16.632 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 -10.448 -9.497 0.819 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 4.457 -3.780 -0.765 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 -14.979 -10.150 -13.276 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 -10.529 12.315 2.130 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 0.022 -0.585 -0.901 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 25.398 -8.037 -10.636 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 23.443 -7.465 -9.920 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 0.587 -1.836 1.247 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 -14.962 3.893 -18.715 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 -4.821 3.704 -12.362 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 0.835 6.162 5.959 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 1.015 27.537 20.992 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 11.219 -7.612 9.750 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 -2.795 -1.405 -0.132 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 -8.024 -7.095 -5.791 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 28.506 11.610 -20.830 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 -4.739 1.840 -1.337 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 -17.823 -11.140 1.747 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 -15.352 -0.531 8.970 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 1.968 1.251 6.086 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 -24.276 4.651 -3.276 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 12.990 -0.558 9.799 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 -6.815 4.086 -0.395 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 -3.852 14.700 13.321 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 6.294 0.902 -3.486 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 0.322 -1.652 -4.006 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 -13.617 4.748 -10.060 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 3.646 6.293 8.541 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 -5.385 -0.763 4.381 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 1.441 -18.474 -19.384 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 -2.215 0.048 5.056 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 -4.611 8.352 -3.820 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 -5.226 7.696 -8.946 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 -3.933 7.727 13.846 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 -3.275 -0.633 3.117 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 7.038 -4.007 2.663 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 -8.932 -0.266 5.598 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 8.123 5.505 -3.517 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 3.736 10.092 -9.630 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 6.835 2.508 -6.751 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 5.212 2.060 1.612 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 7.107 17.427 3.966 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 17.232 -2.998 -3.564 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 0.067 3.610 1.189 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 -2.258 14.992 15.982 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 -5.411 7.330 2.261 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 -1.795 1.583 1.531 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 -1.228 5.449 -17.083 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 -14.011 -4.637 -3.101 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 3.903 -7.771 -1.609 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 1.924 -4.757 -8.467 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 0.246 -12.192 -1.514 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 -0.495 5.123 -0.006 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 -6.641 41.280 -16.644 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 -16.792 -8.843 4.983 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 7.546 1.376 -2.799 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 -14.233 -20.312 8.243 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 23.525 6.867 3.615 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 2.870 3.587 -2.152 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 7.124 4.542 -1.419 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 -10.853 -14.414 -1.748 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 0.881 2.643 -2.013 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 7.164 -7.704 5.267 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 14.793 14.892 -14.345 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 -0.868 2.917 1.199 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 -5.656 1.989 -4.372 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 4.793 1.329 0.004 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 0.436 0.012 -2.967 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 5.119 3.427 1.805 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 -1.425 -7.074 0.971 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 -1.521 4.402 4.211 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 -2.658 2.563 7.956 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 1.551 9.424 5.598 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 1.674 2.471 3.265 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 3.272 3.839 12.926 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 -3.258 3.829 -2.005 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 -1.319 2.831 -4.686 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 7.745 18.836 15.025 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 10.979 -4.662 -10.973 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 -0.886 2.411 -0.603 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 -13.660 16.064 4.843 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 -2.342 26.408 11.015 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 3.553 -5.416 7.255 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 -5.023 16.870 7.960 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 0.914 -22.508 9.174 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 6.278 -3.536 -3.905 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 -1.428 -15.346 4.613 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 7.868 -3.012 -5.587 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 -4.159 -2.970 4.363 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 -5.181 -6.082 4.038 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 -15.862 -30.119 4.760 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 8.426 -1.331 -5.172 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 10.762 3.869 -12.480 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 4.243 -0.455 -4.744 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 0.083 3.448 3.064 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 13.806 -14.840 16.271 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 -5.455 2.800 7.243 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 -2.194 6.389 7.445 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 9.273 4.175 -0.236 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 -12.347 1.325 -0.858 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 -1.869 13.061 -3.161 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 -11.830 18.146 13.799 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 -24.483 25.687 -2.555 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 -1.002 -4.940 -1.466 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 -4.230 -9.626 7.705 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 -3.648 -6.027 3.350 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 -5.618 -3.802 1.453 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 -2.179 5.271 17.838 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 13.634 15.901 -13.450 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 1.464 -5.248 3.172 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 8.364 0.069 -11.942 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 -6.730 -10.168 20.778 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 3.554 1.430 -0.113 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 -1.305 1.526 -5.250 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 -9.895 0.896 -18.335 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 0.711 -5.144 -4.118 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 22.371 16.563 -17.523 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 -26.636 -2.471 -23.219 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 3.144 -3.336 0.779 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 9.251 -17.756 3.881 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 8.438 -2.161 -3.205 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 2.177 2.731 -4.326 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 0.879 4.517 1.049 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 5.641 -0.254 -8.757 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 3.808 -1.153 -3.829 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 -6.002 -0.999 -8.286 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 0.221 0.656 -4.435 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 -5.078 5.301 0.972 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 33.737 -13.094 15.718 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 -11.471 6.817 -0.743 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 -3.527 3.426 -0.965 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 12.911 2.452 5.187 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 -0.002 22.292 0.475 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 0.805 -3.199 3.460 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 -3.094 9.896 11.640 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 2.928 -16.171 2.758 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 -0.164 -0.545 -1.142 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 4.755 -7.807 -2.383 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 -1.815 18.425 -0.692 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 -3.769 -5.787 0.428 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 -0.068 10.543 -12.116 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 -7.869 -5.460 -3.728 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 1.927 -10.387 0.562 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 5.620 9.893 -5.445 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 2.073 -4.813 10.352 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 2.270 3.453 -1.304 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 -10.748 -18.070 -0.459 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 -15.165 19.430 -6.247 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 -1.553 3.336 -8.343 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 -1.722 -16.312 17.990 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 3.554 -15.291 -23.847 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 -0.123 4.333 -4.465 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 -0.502 -24.832 -4.055 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 -0.403 -0.668 -2.264 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 -3.193 -4.342 6.558 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 -12.723 -12.839 -7.793 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 -13.875 5.501 19.115 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 -2.848 2.970 0.975 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 -2.702 8.726 -2.994 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 -1.429 -7.467 8.165 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 2.735 0.787 1.716 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 2.666 -11.828 -5.850 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 9.272 13.078 2.548 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 0.848 -4.090 -3.915 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 -30.443 -2.701 14.832 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 8.349 -12.329 -20.294 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 -1.196 -1.388 10.169 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 -0.488 -7.563 7.955 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 18.270 -9.779 -0.154 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 -5.287 0.552 2.944 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 -17.344 -20.022 -9.493 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 4.372 -2.074 1.144 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 0.746 1.066 3.553 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 7.737 2.751 -8.725 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 -1.917 8.248 20.427 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 4.147 -4.419 -0.331 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 10.462 -24.457 17.700 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 -0.734 -27.488 -16.925 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 -1.522 4.134 -3.852 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 8.542 3.277 -2.053 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 -3.603 12.134 -0.277 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 1.896 -7.965 3.880 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 -5.254 24.609 2.561 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 3.546 -15.126 3.839 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 -4.743 -3.058 -2.818 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 3.636 -5.785 3.124 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 13.493 -10.854 0.223 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 2.143 0.066 -1.942 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 -15.535 -9.399 10.554 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 15.802 7.015 18.036 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 4.626 3.195 -1.536 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 -13.143 -2.716 -5.937 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 4.399 3.776 -2.249 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 -0.036 -3.566 -1.032 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 0.177 3.724 16.559 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 4.593 -1.250 1.612 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 -5.697 -17.736 -1.904 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 12.568 10.273 -10.287 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 -1.769 4.653 -17.222 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 -2.885 4.043 -5.521 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 4.359 2.048 11.536 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 -0.306 1.855 9.330 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 3.116 7.795 -8.072 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 -4.828 -7.467 -14.666 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 6.030 -5.583 -0.485 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 -6.526 -0.822 4.757 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 10.973 8.708 -21.074 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 -34.331 -2.078 -6.308 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 -1.215 -1.443 3.760 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 19.417 5.733 9.249 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 -14.516 13.392 7.967 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 -0.679 -4.283 -11.277 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 21.787 13.855 9.255 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 -24.781 -12.506 12.013 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 3.811 -0.638 4.532 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 0.926 -1.228 2.001 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 -14.742 -2.446 -7.973 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 -1.580 -3.318 -1.074 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 4.498 -2.292 -0.780 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 1.925 3.851 15.314 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 3.934 -1.829 -1.757 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 1.203 0.285 -2.696 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 -7.645 -3.442 -10.469 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 3.387 9.663 2.013 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 -7.968 18.036 18.096 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 -25.265 13.576 3.000 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 -2.111 -1.432 6.464 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 -7.792 -3.570 22.894 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 -9.678 -10.378 21.316 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 -0.171 0.103 2.056 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 24.073 -11.652 15.305 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 -12.467 -4.221 15.936 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 -1.030 -5.336 -8.436 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 -2.116 -7.538 -13.425 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 5.696 2.217 13.769 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 -1.332 0.769 2.785 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 7.724 10.849 14.430 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 11.735 0.352 -4.816 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 -2.040 -3.945 -5.902 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 -16.037 9.896 -7.603 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 -12.264 -1.550 -15.288 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 4.971 -0.017 2.529 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 -1.287 0.704 -10.399 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 15.928 -6.392 -1.558 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 -0.799 8.094 -0.062 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 2.062 9.028 -0.552 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 -6.192 14.400 -11.170 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 -0.537 -5.185 -9.024 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 20.511 -13.590 5.511 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 -14.068 6.944 12.802 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 2.136 9.149 -3.173 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 25.559 5.690 10.392 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 -8.194 5.116 4.485 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 -6.368 -4.047 -2.074 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 1.778 19.716 -4.607 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 -4.900 12.481 -25.826 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 -1.007 -4.325 11.675 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 -8.685 -9.560 23.527 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 1.129 13.467 4.931 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 0.648 -5.473 8.349 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 2.579 -21.861 -1.834 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 17.886 5.534 3.325 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 0.162 -3.402 -2.743 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 5.378 -13.945 -0.079 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 5.041 4.559 15.983 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 -5.584 5.842 3.626 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 -17.353 6.479 12.226 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 27.251 2.417 16.176 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 -4.636 -6.152 3.600 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 -2.027 -12.461 -5.172 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 0.345 -12.069 8.515 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 -5.139 0.620 -3.012 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 -7.595 4.181 5.312 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 -7.529 -0.176 5.867 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 4.897 -1.450 -5.380 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 -4.706 -5.528 -21.848 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 -1.333 -13.351 11.423 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 -2.966 -2.799 -3.364 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 21.186 -0.003 4.997 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 -15.882 -5.626 -2.296 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 1.439 0.009 -8.138 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 6.006 4.132 5.773 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 -3.944 3.604 -15.612 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 1.583 0.076 -0.930 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 1.402 6.061 -2.377 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 -15.010 4.198 13.027 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 -4.684 -1.887 7.195 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 12.407 -3.036 12.509 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 7.186 5.854 3.342 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 -4.663 1.232 -1.584 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 -0.476 -6.060 -14.807 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 -9.525 11.937 20.813 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 1.869 -2.329 5.456 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 9.179 -1.884 25.902 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 -2.009 14.190 -5.696 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 -2.342 -3.634 2.548 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 -6.071 -9.629 -2.872 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 4.292 -10.658 3.085 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 -1.716 -3.883 4.592 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 -1.947 1.617 19.620 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 -8.212 -13.580 8.649 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 -0.028 -0.811 -0.139 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 6.760 -0.543 11.400 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 -1.358 3.573 -5.081 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 2.040 1.473 -2.452 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 -4.227 6.738 15.132 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 5.008 -4.429 26.434 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 3.901 3.155 -1.757 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 -30.689 -8.278 17.331 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 -14.684 -3.710 19.017 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 -6.498 0.527 -1.459 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 -1.334 -13.147 -32.478 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 -15.177 -0.300 -0.304 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 3.920 6.467 4.099 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 5.514 -29.749 24.066 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 10.340 8.659 -4.381 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 10.784 1.684 -3.764 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 17.270 33.026 -7.864 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 -37.931 9.404 21.257 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 2.036 -2.752 3.703 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 -6.015 -1.215 -0.348 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 12.212 1.664 8.531 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 5.062 3.028 -2.415 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 -7.124 -9.739 -6.151 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 21.104 -3.026 24.646 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 5.603 -10.765 2.392 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 10.440 1.207 -9.329 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 6.807 -8.070 -12.138 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 -4.843 -2.066 5.276 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 -0.363 -3.603 -5.452 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 -3.633 -2.232 2.379 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 6.092 -2.441 5.819 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 16.346 4.545 16.733 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 1.998 -13.282 0.638 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 -2.641 5.235 8.910 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 -11.755 8.531 -0.620 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 -11.644 -7.616 7.281 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 2.059 0.366 -8.126 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 -0.607 7.428 21.484 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 4.087 -16.735 5.268 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 -1.589 -2.250 2.971 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 4.488 -9.574 19.377 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 -5.403 -6.229 19.364 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 1.580 -6.451 0.362 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 18.914 -7.412 5.712 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 -11.853 -12.042 17.455 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 5.293 0.738 4.819 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 -1.726 11.684 5.922 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 2.979 3.848 22.234 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 -0.470 -1.961 -3.663 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 -4.048 7.928 -6.474 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 23.996 7.520 9.330 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 2.229 1.793 -0.747 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 3.271 -8.222 17.162 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 -2.674 20.122 -10.680 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 -4.740 2.481 -2.331 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 -22.459 -23.764 46.718 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 16.005 -5.738 -33.885 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 -0.297 -2.873 -2.074 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 0.219 -1.264 -2.667 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 1.187 21.217 -3.342 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 -0.431 -0.936 1.078 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 28.134 -25.023 -7.647 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 10.931 -9.301 -3.867 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 4.779 0.926 0.460 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 -6.043 5.786 1.975 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 9.776 -1.746 2.968 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 4.179 2.396 -6.005 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 -12.714 -1.967 -6.921 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 4.544 7.614 -8.288 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 -1.720 -5.196 6.098 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 -5.334 5.314 -4.411 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 5.543 -16.362 0.113 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 5.669 1.127 -4.230 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 20.158 -33.412 -1.593 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 -7.209 9.173 17.819 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 0.607 -3.930 -0.582 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 -9.150 3.434 5.937 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 4.221 5.363 -6.116 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 -3.211 -5.210 3.695 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 -0.231 -1.615 0.947 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 3.688 -2.212 16.619 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 1.339 1.828 -0.048 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 4.213 5.788 -27.149 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 26.136 12.536 16.428 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 4.222 1.893 0.961 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 -2.267 22.460 -4.051 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 2.854 -1.870 -1.698 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 -1.787 -3.000 -8.413 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 1.298 -27.530 -4.634 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 -11.533 -16.473 -11.352 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 3.482 3.759 4.737 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 11.960 -27.287 31.929 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 -3.065 16.613 -2.967 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 -5.732 2.138 2.730 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 -1.034 8.060 7.310 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 -7.475 -1.952 9.241 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 -12.251 -0.542 3.411 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 -9.807 -1.254 6.925 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 28.915 -15.597 12.255 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 -3.156 -1.586 8.401 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 -7.164 6.232 -8.369 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 4.057 -15.709 1.787 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 -2.061 2.043 -1.375 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 -2.433 -0.060 1.069 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 -1.698 7.057 4.708 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 0.818 3.922 -5.600 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 -6.890 -6.562 -16.936 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 1.334 -6.910 7.028 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 -6.504 2.083 2.971 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 10.377 -30.386 23.277 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 -3.418 8.439 10.388 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 -0.394 -10.507 -4.673 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 -11.333 -13.400 10.146 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 3.565 -7.013 -10.183 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 -4.005 1.460 -1.165 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 -22.216 1.942 2.720 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 11.779 -14.306 -4.170 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 -3.118 4.047 0.076 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 -5.235 3.013 10.687 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 -11.231 10.628 -10.835 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 -0.421 -2.417 -0.428 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 8.593 -4.650 -6.797 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 1.184 -8.263 8.718 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 -0.669 -2.431 -2.589 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 2.351 -21.713 13.590 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 17.151 -8.483 -17.026 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 -1.657 5.472 1.573 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 3.026 -2.251 -7.926 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 -9.288 12.351 6.800 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 -3.019 2.417 2.911 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 -13.116 -2.898 9.955 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 -6.059 17.799 -14.440 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 1.766 -8.307 -4.752 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 -6.215 2.955 -3.058 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 11.120 -19.519 5.601 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 9.149 -3.635 0.882 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 6.396 0.788 1.453 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 -1.870 -5.242 3.679 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 1.463 0.503 0.909 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 15.056 -21.679 -31.067 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 9.139 5.070 -17.223 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 -1.201 2.929 1.511 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 -2.050 1.610 -14.184 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 -15.412 -21.558 8.548 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 3.556 -0.644 7.447 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 3.686 1.499 6.157 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 1.868 -1.539 -0.735 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 -1.718 0.308 -4.025 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 -15.797 -6.649 9.405 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 0.713 2.523 -10.395 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 -2.031 2.347 -2.562 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 5.331 0.409 -0.428 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 -5.981 -1.876 -0.490 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 -5.216 -0.949 0.826 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 -26.074 18.641 -5.403 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 12.615 0.903 -2.364 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 -0.264 -5.256 1.167 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 3.601 -16.303 0.049 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 -2.102 -20.658 -9.951 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 0.461 6.679 0.589 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 1.464 -12.411 8.285 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 -19.125 13.505 -11.143 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 -3.086 -7.238 8.297 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 -36.456 16.363 13.271 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 -9.334 -2.082 -30.542 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 0.974 4.474 2.175 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 9.028 10.815 17.500 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 16.260 -7.193 -3.008 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 0.353 -0.665 9.397 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 -8.399 -0.936 20.441 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 -26.144 -0.517 -10.352 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 -3.177 -3.225 6.339 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 -1.562 -8.635 20.420 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 -0.307 -2.719 -6.123 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 -0.086 -6.555 2.813 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 0.172 -7.375 -0.782 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 7.227 -1.341 5.134 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 -0.533 -1.818 1.174 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 -5.345 15.765 -1.255 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 -5.125 -10.818 -5.653 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 5.592 -2.878 3.850 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 1.781 9.452 2.101 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 -6.019 -9.841 6.476 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 -0.734 -2.970 7.351 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 7.945 2.509 13.685 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 -12.461 -0.674 0.722 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 3.033 1.011 -1.859 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 -7.453 9.381 6.293 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 4.747 4.001 1.760 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 -9.090 -7.193 3.005 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 2.832 -29.413 -18.059 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 -10.992 -0.084 10.282 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 -1.372 -0.056 7.185 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 -3.213 8.626 5.607 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 1.904 0.312 -1.263 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 -3.463 2.195 -4.339 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 5.328 1.698 9.700 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 23.141 14.341 -23.514 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 2.993 -7.299 -4.802 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 -3.907 7.677 -8.672 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 -12.704 10.851 -38.823 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 1.589 -6.035 0.495 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 10.723 -9.063 -7.211 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 -13.254 -11.241 -12.645 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 -7.647 -0.037 -3.163 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 15.814 -4.878 -8.490 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 -31.547 -31.473 12.909 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 0.636 7.294 3.132 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 -10.694 13.477 -26.022 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 -6.327 29.722 -3.752 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 4.902 3.040 -8.125 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 3.548 1.121 -1.679 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 4.816 -2.085 2.741 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 2.343 4.043 -2.395 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 1.233 -19.089 4.058 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 22.369 8.283 -11.405 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 -1.303 -2.413 -7.892 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 -1.556 7.034 4.113 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 -11.584 -23.824 11.450 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 -1.169 5.626 7.117 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 7.675 1.998 2.170 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 -9.694 19.553 11.350 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 -3.309 2.778 3.365 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 -16.781 -15.949 -0.802 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 -25.332 -15.222 8.012 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 2.319 0.163 2.088 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 -1.726 12.405 -15.550 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 -12.203 -8.293 3.377 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 1.993 10.229 -0.625 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 6.187 -4.042 -6.396 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 5.503 0.030 -6.717 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 -5.327 2.571 -0.334 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 -4.655 -15.458 19.241 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 20.432 30.309 -12.513 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 -3.376 3.194 -0.203 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 -6.594 7.279 -4.606 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 1.935 11.101 10.981 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 -10.953 1.751 -1.020 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 3.914 -3.644 -16.808 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 -11.390 28.484 -2.661 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 5.462 -4.834 -7.155 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 7.317 7.372 -9.787 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 -15.785 -1.559 -10.058 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 1.651 3.345 1.604 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 5.307 6.600 18.517 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 -8.805 19.173 21.703 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 2.000 1.585 -3.372 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 5.369 9.320 -0.770 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 0.382 1.263 -5.835 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 -4.064 4.385 4.184 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 -5.106 -18.106 14.925 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 -0.133 -13.778 -1.588 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 2.984 0.095 -2.549 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 9.265 5.973 5.381 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 10.379 1.600 -2.495 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 10.194 -1.109 4.466 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 16.518 3.921 3.340 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 18.210 2.975 0.775 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 5.575 -3.954 4.173 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 4.285 -5.553 5.292 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 5.725 -0.166 0.149 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 5.580 5.718 -2.400 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 9.476 -20.091 2.090 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 25.321 6.746 -7.235 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 4.588 -5.883 -4.970 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 27.557 -4.566 0.700 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 -27.787 -6.905 -10.387 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 -3.339 1.360 -2.831 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 -22.778 5.048 10.518 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 -2.152 -12.175 7.398 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 0.955 -1.586 -4.795 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 6.966 22.521 13.901 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 6.826 22.050 13.301 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 4.186 4.911 5.454 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 -10.415 2.966 -2.357 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 3.060 0.724 0.710 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 -0.308 -3.553 -1.862 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 5.225 28.531 -18.029 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 6.445 24.787 4.155 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 5.449 -0.008 2.134 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 -0.879 -7.569 16.842 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 -11.809 8.566 -2.102 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 -2.335 -0.570 0.076 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 0.550 7.370 -5.305 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 -16.058 5.339 -3.758 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 -2.614 3.847 2.569 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 -0.703 4.616 0.880 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 -7.812 6.714 6.996 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 4.722 -1.928 -2.454 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 19.886 13.538 14.723 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 18.355 2.458 -5.442 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 -3.839 -5.225 -2.497 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 0.279 -2.390 14.217 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 3.648 -9.250 -0.819 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 -0.595 3.323 5.201 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 -0.328 -2.088 9.444 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 -0.888 -7.525 23.222 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 -0.423 -0.829 -1.486 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 -0.067 -5.005 0.196 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 -2.392 0.907 1.380 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 11.677 -6.801 -6.338 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 12.045 -6.214 -5.255 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 -1.578 -0.778 -9.451 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 -0.878 4.609 1.024 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 -1.926 -3.024 7.826 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 7.389 -12.740 4.932 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 -2.621 -11.892 2.791 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 -2.449 7.901 -11.060 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 -17.058 16.271 -11.002 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 5.918 -0.530 5.694 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 -15.301 6.910 -6.205 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 30.358 -7.186 20.121 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 -0.101 2.571 -0.014 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 -6.514 -8.590 -3.213 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 15.245 22.092 5.120 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 -3.292 -0.086 2.328 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 -7.071 8.716 -20.266 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 18.904 -9.527 1.749 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 3.166 -5.767 3.122 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 -6.313 -1.678 -0.307 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 -1.174 -12.955 21.047 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 5.084 -4.140 -1.774 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 12.847 9.550 2.209 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 4.732 -3.535 -2.426 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 9.156 4.981 2.853 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 2.600 -1.295 1.039 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 -5.101 -6.427 -0.315 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 -5.296 -0.840 2.486 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 -0.466 16.715 -1.536 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 9.625 12.898 -11.183 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 -5.126 0.920 -0.504 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 10.276 -18.283 4.921 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 3.316 -0.354 -2.913 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 -1.752 -4.275 -1.649 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 -2.303 1.640 -5.210 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 -6.940 -11.674 3.158 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 -7.443 2.903 -4.425 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 0.950 -5.824 -12.696 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 20.513 -4.587 -12.336 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 0.111 0.341 -9.496 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 36.813 6.022 12.369 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 20.408 12.213 10.865 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 9.027 2.988 2.662 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 3.815 1.613 -19.893 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 -13.123 18.818 13.094 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 2.838 -4.052 -1.038 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 12.151 -5.943 -4.246 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 0.955 -1.708 0.021 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 -7.039 6.690 8.303 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 -24.910 -0.331 4.340 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 0.646 11.191 11.207 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 -0.570 6.568 8.012 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 -2.401 -25.710 6.943 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 20.628 1.007 5.816 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 1.391 -1.204 -0.920 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 -20.834 -2.414 -17.894 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 -5.484 15.573 21.281 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 -1.628 -0.547 1.712 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 5.113 -8.005 -17.344 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 -11.112 3.504 39.181 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 1.390 -1.482 -5.244 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 6.509 -21.572 -2.026 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 14.937 6.066 -6.418 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 -0.678 -4.318 -0.697 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 -3.707 4.550 -3.508 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 -1.304 -5.187 12.330 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 1.946 -2.434 0.470 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 29.536 5.975 -8.544 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 7.121 -17.610 -36.153 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 -0.150 2.204 2.958 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 -19.977 16.877 -3.053 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 -22.032 -24.459 -19.560 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 2.223 3.081 -0.188 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 -31.149 7.007 -26.503 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 -1.715 -14.470 -4.640 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 -2.454 -6.619 6.549 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 3.184 0.824 -1.828 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 -0.718 -5.170 5.200 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 -0.543 -1.317 -5.976 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 8.555 -15.673 -7.232 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 -8.397 -1.729 -11.276 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 2.840 -6.181 1.366 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 -14.574 1.464 17.679 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 1.635 -9.146 1.323 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 -9.865 -7.434 6.850 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 -16.070 -3.064 -1.469 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 14.345 -4.436 10.027 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 -4.699 -0.203 0.265 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 -3.959 -0.352 -0.372 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 3.082 -1.981 8.820 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 6.548 -2.572 0.786 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 -0.159 -1.954 12.982 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 -3.553 -1.106 18.734 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 -1.034 5.993 0.378 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 11.970 -30.510 2.148 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 2.179 -3.538 -4.032 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 2.837 -1.117 3.613 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 -21.032 11.432 -9.896 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 -6.293 -8.287 19.474 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 -0.984 -2.656 0.511 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 12.428 -5.130 9.709 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 10.391 -8.206 12.437 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 0.727 0.267 -0.808 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 4.004 -3.839 1.653 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 -5.418 3.731 -5.390 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 -0.721 -3.380 -0.081 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 22.785 10.432 4.976 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 -10.185 -12.046 2.135 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 -0.552 -2.395 1.347 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 20.648 22.583 -1.854 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 5.926 -0.400 -6.920 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 5.473 -4.252 -2.532 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 15.540 16.682 20.582 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 -19.061 -2.583 -10.563 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 6.986 -0.781 -2.696 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 4.567 0.245 -4.083 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 -15.501 2.642 -13.559 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 3.505 1.203 0.721 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 4.966 1.016 1.232 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 20.695 7.329 2.801 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 -7.540 3.284 -3.143 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 15.038 -0.270 -13.048 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 43.059 -24.426 -5.527 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 -0.184 3.307 4.535 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 -0.331 -0.840 7.566 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 5.284 15.195 -8.254 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 -0.429 -3.355 3.410 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 18.438 -38.683 -11.902 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 8.951 -21.134 -3.911 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 -0.336 -2.092 -4.762 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 -8.370 -5.995 -9.598 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 8.938 -5.357 -6.804 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 -3.070 -0.823 1.269 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 20.226 -17.821 17.187 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 -0.113 -1.590 -1.433 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 -1.049 1.672 2.449 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 10.298 -4.241 -5.142 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 -2.677 -1.789 11.943 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 3.502 13.834 -3.666 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 -1.833 21.822 4.865 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 0.156 11.671 -11.405 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 2.514 5.829 -6.874 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 -0.173 13.031 -1.953 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 1.260 -9.043 -2.644 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 -10.427 4.142 2.095 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 6.439 11.402 18.896 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 -26.548 -11.584 14.907 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 -2.289 6.787 -0.505 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 -1.615 6.472 -18.380 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 -4.167 4.601 10.474 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 -1.877 -0.758 -3.654 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 -13.889 3.306 33.018 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 12.397 -12.285 -21.985 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 -2.218 -0.983 -5.054 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 -14.579 6.123 6.094 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 20.649 -19.575 -31.386 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 7.878 0.358 0.141 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 7.976 13.692 35.699 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 8.742 2.642 12.849 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 2.021 -13.253 0.824 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 -2.231 5.884 -6.888 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 -19.130 -13.986 21.278 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 0.975 -2.158 1.547 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 0.629 3.629 -6.096 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 -6.473 -2.968 5.769 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 -7.359 8.929 -3.445 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 -13.174 8.802 1.087 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 -3.614 8.212 8.543 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 3.301 1.570 0.199 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 -20.998 -8.718 3.998 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 7.335 7.491 32.093 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 -1.333 7.249 2.697 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 1.041 1.655 6.419 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 23.669 16.604 4.275 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 -3.840 3.317 3.251 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 0.786 -9.222 7.826 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 -0.037 15.163 16.419 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 -1.372 -1.340 1.170 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 6.019 2.834 -8.694 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 8.152 -7.166 10.332 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 -5.910 3.545 0.866 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 -46.560 9.592 -13.255 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 -13.020 9.576 -2.078 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 -3.746 -5.731 -1.193 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 5.111 -13.850 6.318 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 -6.890 4.080 4.726 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 -5.559 5.726 -3.112 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 4.520 9.524 3.442 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 1.161 -9.546 2.178 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 -2.733 -6.567 -1.147 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 -8.002 -2.849 -6.889 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 14.808 -13.118 -6.263 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 -4.079 -4.373 -0.258 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 -3.057 -2.793 1.110 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 -3.559 -2.171 -3.678 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 4.664 -2.086 -3.406 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 -6.153 -7.327 2.223 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 7.397 -8.653 16.778 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 4.218 -0.986 -6.526 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 16.059 15.241 -10.965 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 12.604 -12.850 -7.993 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 -2.960 -0.650 2.085 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 -2.799 -9.227 2.755 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 -14.529 7.344 6.567 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 0.003 0.324 -4.825 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 -5.001 1.581 -3.880 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 -2.790 -13.028 -5.788 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 1.246 2.737 -3.919 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 7.403 13.551 4.071 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 -5.754 0.011 -7.479 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 4.228 5.843 -0.824 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 -4.769 9.138 21.259 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 -6.393 -8.879 7.820 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 4.500 -2.111 0.948 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 -4.173 -3.721 -2.130 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 -19.296 -5.647 -7.705 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 4.035 -6.456 -1.190 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 10.426 -3.779 -2.622 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 -7.671 7.761 1.703 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 -3.585 1.940 -3.433 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 2.574 13.790 -14.913 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 -13.416 0.904 -11.296 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 -3.906 0.444 -1.440 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 2.878 -10.786 -20.458 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 11.414 -6.030 -4.187 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 -7.939 3.876 2.192 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 -19.944 -11.628 -2.192 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 13.694 -13.989 4.602 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 1.469 1.766 -0.734 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 7.476 25.854 -22.250 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 3.662 -17.493 14.978 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 4.155 -0.145 -0.488 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 -6.411 -4.580 25.138 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 18.455 5.469 -26.409 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 -5.019 -6.200 0.157 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 -3.200 6.786 -6.937 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 3.485 -17.619 17.553 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 -6.097 4.418 -4.436 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 -24.274 -1.098 -14.411 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 -1.622 -5.063 4.399 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 4.182 2.278 2.682 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 6.336 8.897 -2.421 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 3.128 -2.394 6.650 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 5.370 2.325 3.297 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 -12.797 17.220 -22.324 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 9.077 6.727 -5.854 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 1.451 9.012 -1.892 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 5.946 2.991 -2.255 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 4.033 -2.812 11.198 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 3.112 -2.794 -2.622 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 -17.475 19.897 -4.666 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 -3.955 -8.941 -0.596 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 -1.554 5.217 -2.191 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 -12.624 -4.515 3.230 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 -1.550 -14.993 9.752 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 5.246 4.854 -0.083 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 13.982 22.017 19.137 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 -8.992 11.657 1.244 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 0.088 1.726 4.308 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 20.360 -10.985 42.379 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 0.420 5.732 4.606 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 -7.251 0.675 0.700 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 -8.798 -2.408 -1.814 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 1.191 5.199 -7.220 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 1.126 -0.443 2.780 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 -11.941 3.837 -4.854 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 20.905 6.182 -20.842 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 1.989 3.504 -0.976 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 15.432 -13.984 13.499 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 8.334 13.998 -16.132 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 0.944 -2.477 -0.175 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 8.683 -1.918 -0.599 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 -32.081 -18.048 -8.654 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 -8.689 -0.866 0.090 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 -20.144 -12.271 -0.312 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 10.707 3.245 7.542 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 3.203 2.025 -1.847 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 -8.461 2.856 -4.342 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 4.703 6.034 -10.349 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 -2.214 3.822 0.040 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 13.195 13.343 -15.576 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 -0.965 4.437 -4.120 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 0.405 1.705 0.800 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 10.936 1.657 0.009 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 -9.765 1.060 1.562 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 1.967 2.415 3.280 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 18.529 -20.747 28.974 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 -2.450 8.937 -0.621 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 2.148 -0.539 4.923 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 -3.867 -16.789 9.029 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 19.267 -1.219 -5.714 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 -4.076 6.562 4.226 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 -1.400 8.962 8.870 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 -10.706 7.362 -16.394 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 -1.242 -0.074 9.539 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 -22.076 20.758 -16.180 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 -3.733 -3.912 9.149 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 5.190 3.094 3.001 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 10.451 22.602 -9.743 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 1.683 -10.105 11.350 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 -7.511 8.392 -2.993 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 -30.810 -19.691 23.841 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 -4.620 9.123 7.412 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 1.606 -7.556 -2.093 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 -1.129 5.308 -25.680 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 8.391 -17.651 29.775 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 0.969 -3.362 -0.176 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 -3.808 14.329 -12.000 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 15.802 -0.102 4.083 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 -7.667 -2.090 7.334 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 -16.316 -1.114 1.441 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 -10.405 4.959 17.090 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 6.414 4.256 3.010 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 0.279 -0.059 6.952 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 19.322 9.532 -5.513 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 -3.979 -1.031 3.678 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 2.763 8.367 12.474 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 1.676 -2.920 0.131 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 -3.106 0.107 4.587 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 -0.881 3.385 -21.872 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 12.787 30.179 15.454 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 -1.012 -0.314 6.096 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 1.996 13.703 -7.924 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 7.415 -15.367 11.493 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 -2.670 6.968 -2.751 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 4.596 -11.874 2.373 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 -16.898 12.823 6.318 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 -0.780 -1.761 1.689 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 -35.715 -2.460 23.767 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 -13.312 6.863 5.901 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 -0.232 1.566 -5.195 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 -6.506 -21.665 15.529 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 2.420 10.505 -3.555 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 -1.551 7.792 -5.289 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 2.947 -3.954 8.451 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 5.158 23.827 6.891 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 -0.489 0.877 -3.464 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 2.748 10.168 -3.904 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 14.517 11.585 -24.440 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 1.694 -4.778 0.515 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 7.864 -14.696 -6.546 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 -14.454 -10.481 -6.167 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 6.456 2.833 -0.298 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 13.898 1.206 -26.584 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 17.600 -13.853 -9.879 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 0.091 -9.280 -0.897 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 -13.069 10.165 11.754 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 0.063 -27.806 9.651 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 3.480 5.644 -0.992 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 -3.999 15.231 15.531 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 1.322 18.158 -16.947 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 2.780 -4.505 -0.522 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 -18.522 18.630 2.332 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 -10.465 20.053 7.062 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 -0.947 -2.410 -6.822 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 3.903 4.004 -12.164 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 3.861 2.005 1.785 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 -4.249 3.836 -3.886 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 -3.743 12.342 -10.608 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 -17.371 -9.072 -17.241 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 -2.530 2.237 -3.478 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 -34.892 -15.830 -9.494 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 2.197 18.002 -0.208 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 -3.015 -4.226 -3.090 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 22.764 1.574 -5.744 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 4.068 -0.788 1.726 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 -0.426 -1.658 5.139 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 -4.372 -11.409 -7.549 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 9.701 1.337 3.614 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 1.100 3.094 -2.066 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 -11.726 12.248 -12.132 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 -12.872 -10.178 22.469 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 6.037 5.600 4.022 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 -10.676 2.400 -12.138 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 0.252 -1.888 18.503 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 4.611 -1.172 0.014 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 20.790 -27.680 -17.531 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 8.580 24.986 -18.954 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 3.443 0.003 6.893 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 -31.165 0.056 -19.468 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 -2.679 7.201 10.021 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 -1.333 1.500 -3.389 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 -19.086 13.670 -4.788 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 -13.094 -7.112 14.629 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 0.160 0.525 -3.593 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 -0.584 0.831 -4.047 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 -5.551 -11.625 -13.810 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 -5.464 1.602 5.438 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 9.352 2.449 -28.725 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 -0.780 0.548 1.119 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 -2.138 -2.490 -6.966 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 15.605 4.032 6.931 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 -0.925 -4.125 -7.221 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 0.672 5.645 -3.065 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 11.121 -1.261 -11.404 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 -15.495 0.843 -2.365 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 -5.944 -3.251 -0.644 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 20.327 19.573 -8.890 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 -11.319 1.396 -5.194 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 -2.078 4.838 1.718 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 -26.031 3.512 4.839 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 22.706 0.470 -3.129 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 5.530 4.260 -0.359 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 -2.079 -4.475 7.039 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 10.913 -1.275 1.194 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 5.253 5.172 -1.466 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 10.408 5.599 -7.192 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 -0.924 6.089 4.246 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 -7.928 -4.559 -4.400 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 -9.159 -5.875 -31.437 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 -5.162 -5.275 19.730 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 1.761 2.167 -4.205 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 22.180 -29.501 3.890 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 -20.376 36.132 5.399 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 -6.746 6.801 -6.136 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 12.428 52.976 -13.276 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 -9.194 -6.182 -8.904 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 0.162 5.313 -0.880 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 16.350 7.524 -0.847 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 5.494 -4.906 -17.158 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 -0.855 2.638 2.159 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 -0.396 -8.577 -0.342 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 -21.901 -22.572 6.470 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 0.445 3.512 2.174 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 -2.480 3.198 0.265 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 0.870 3.579 0.173 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 -8.446 -3.326 1.232 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 10.729 -0.018 -8.165 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 -3.282 10.650 18.591 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 -0.905 -0.751 -7.610 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 -0.102 -5.255 -14.924 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 2.296 -1.701 2.908 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 -0.553 1.130 -1.225 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 2.315 11.305 -1.298 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 10.180 -1.633 2.837 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 -1.878 -1.832 0.695 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 5.047 -0.888 6.089 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 3.240 3.733 -2.761 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 5.490 5.222 0.078 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 4.811 -17.037 -13.293 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 7.212 -29.192 -2.498 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 -4.731 4.896 1.199 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 3.150 -5.875 -29.097 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 5.506 9.588 20.323 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 2.345 2.784 1.475 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 7.127 -13.585 0.583 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 18.603 11.995 8.524 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 2.002 0.460 4.798 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 3.990 9.222 8.916 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 15.028 -1.802 24.694 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 1.836 -8.239 -3.251 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 20.158 -16.086 6.889 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 -18.346 -9.250 30.852 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 -4.831 0.106 1.976 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 -12.310 -0.182 16.909 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 15.904 15.097 4.820 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 -3.175 -3.248 -2.172 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 -1.467 -4.087 0.668 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 13.493 0.495 3.664 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 -2.964 1.505 0.644 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 -21.471 -3.616 1.954 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 5.987 2.198 -22.147 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 0.798 -6.231 -7.429 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 -10.320 13.774 3.991 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 -8.771 -16.310 0.215 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 -2.676 0.438 4.594 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 -5.252 -5.794 -4.021 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 6.429 -3.590 -16.506 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 2.307 1.647 -0.376 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 -15.091 -3.788 1.779 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 13.663 4.423 -2.231 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 -1.277 -0.338 2.190 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 -18.107 8.421 0.878 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 3.920 -13.912 5.200 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 -2.432 -4.727 -2.080 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 2.535 -18.341 -1.046 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 2.541 -6.291 1.616 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 2.097 -1.816 4.113 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 15.883 -12.615 25.841 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 -11.581 1.534 -19.014 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 6.480 2.120 4.500 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 3.271 -2.955 0.125 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 9.995 1.262 6.701 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 2.419 0.940 -0.325 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 15.729 -3.660 -1.390 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 12.534 -4.539 12.581 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 3.296 -1.191 4.649 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 11.267 -3.304 7.428 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 -4.343 -12.420 -24.390 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 2.380 -2.153 2.523 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 -6.076 -1.957 12.097 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 22.744 -10.100 -4.179 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 2.144 4.513 4.639 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 -2.021 -6.974 7.124 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 7.671 20.270 -1.634 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 4.768 3.842 -1.454 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 9.162 22.669 -6.154 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 0.114 -5.756 -5.345 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 1.940 1.647 2.833 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 3.333 -6.018 -7.846 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 7.396 12.384 -0.310 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 -1.468 -0.417 -7.347 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 -4.729 -8.186 -3.863 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 17.283 -1.242 -7.404 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 6.734 -3.783 5.649 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 -4.645 3.544 10.368 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 -1.252 -2.057 -0.101 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 4.230 -3.788 -1.682 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 -6.018 -34.935 11.738 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 -7.308 2.203 -33.847 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 1.433 -9.388 1.365 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 -28.658 -14.288 6.515 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 -6.890 -7.238 -18.316 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 -5.519 -0.610 1.207 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 -13.779 -9.413 -27.790 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 0.387 31.000 2.000 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 -7.002 0.970 1.066 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 -12.043 -6.748 3.745 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 11.616 22.771 -4.460 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 -2.154 -1.270 2.284 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 -6.914 -4.201 -10.442 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 -14.297 12.106 -15.792 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 -0.574 1.636 -0.306 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 3.991 34.738 19.245 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 5.328 14.075 -33.471 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 0.773 5.700 2.218 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 -17.215 -23.282 -22.150 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 -15.570 -22.699 -23.478 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 1.878 -0.876 2.630 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 16.413 -9.081 23.978 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 -1.876 -8.048 -23.119 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 -1.265 2.041 0.269 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 -22.291 8.979 -12.127 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 0.491 12.911 23.581 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 3.419 3.336 4.363 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 2.418 12.041 -0.501 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 2.883 -2.659 7.236 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 -4.046 -0.167 -0.748 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 -0.868 0.494 18.311 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 5.972 7.196 -2.316 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 0.541 -0.042 -4.599 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 -1.658 -1.497 -3.284 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 1.589 1.088 -2.943 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 -1.968 5.294 2.245 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 -7.477 -3.758 -17.949 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 -25.241 9.126 7.449 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 -3.127 4.874 -8.926 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 -30.222 5.355 -3.366 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 10.283 -1.543 11.261 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 1.436 -4.814 3.442 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 42.476 -1.365 -3.981 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 -5.262 -10.397 -7.806 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 -0.691 -4.691 -0.221 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 -10.554 -15.748 -5.804 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 -11.234 6.367 6.988 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 6.807 3.981 -3.626 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 -3.728 3.587 -10.239 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 23.148 0.663 -2.489 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 -0.760 4.027 2.407 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 1.944 10.504 -9.740 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 1.237 -11.360 30.030 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 -3.601 4.180 3.153 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 -0.410 4.731 2.054 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 2.376 -2.609 7.461 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 -8.223 6.301 1.215 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 -6.345 7.299 -6.122 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 -13.829 -3.228 16.285 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 -8.368 -2.532 6.090 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 -13.198 -0.014 -4.063 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 4.488 5.969 17.471 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 3.768 -0.817 -1.478 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 10.234 -8.172 -14.497 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 -22.119 -6.052 -1.758 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 1.552 0.661 4.336 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 12.701 -6.215 14.210 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 11.123 -8.704 -10.997 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 4.863 2.448 5.917 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 5.327 1.530 2.844 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 9.441 1.792 -3.833 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 3.396 -1.442 -5.788 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 11.338 -1.272 1.196 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 -6.176 -14.188 -17.577 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 1.660 2.346 1.020 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 -2.806 21.123 4.772 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 0.402 5.619 9.909 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 0.855 0.692 4.024 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 1.115 5.656 -7.188 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 9.751 12.557 3.947 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 0.945 1.000 -0.885 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 -7.814 -4.115 -7.386 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 -4.983 -3.851 2.206 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 -5.514 -2.383 1.716 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 -4.000 7.743 -9.812 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 21.920 -4.061 19.355 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 -2.997 8.750 0.943 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 0.346 0.690 5.942 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 -18.456 -13.267 26.050 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 -8.111 0.578 -0.965 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 -4.767 15.546 21.386 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 -0.050 -14.548 -17.175 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 2.987 -2.914 5.180 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 -1.183 -4.370 12.921 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 35.347 -8.928 -13.485 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 -3.807 1.076 -3.960 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 -4.906 16.251 -7.232 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 5.886 -8.875 -6.359 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 2.491 2.470 1.221 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 -15.116 -8.206 9.134 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 -6.658 10.988 -8.750 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 4.244 -5.487 -1.817 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 33.512 0.627 -11.736 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 -11.620 20.648 8.141 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 -3.360 -5.531 -2.717 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 1.016 -8.185 -4.195 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 -1.506 -3.209 -1.865 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 -0.362 -5.456 -4.886 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 -14.133 -21.093 15.672 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 -11.011 -12.671 21.555 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 3.599 7.583 0.944 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 -18.734 3.069 -35.554 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 -17.073 -14.846 2.116 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 0.106 -2.616 -0.959 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 4.807 -11.334 -27.542 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 -22.715 -10.999 -2.736 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 3.241 -3.990 -2.995 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 20.916 5.323 -3.247 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 -20.258 -1.601 6.418 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 1.874 2.389 3.861 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 3.306 5.901 11.311 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 2.406 4.813 6.002 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 0.332 -2.373 4.675 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 18.243 -4.531 -0.261 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 -4.266 -8.829 6.552 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 3.252 -7.617 -1.702 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 -22.398 -3.871 -7.353 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 1.849 -18.663 -12.579 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 0.521 5.956 -1.291 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 -2.360 -4.251 -7.848 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 -17.655 -18.887 -0.080 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 4.521 -10.242 -3.995 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 -14.710 -15.598 1.182 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 15.984 -9.298 -7.714 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 2.830 2.060 -0.771 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 -7.349 -11.918 -3.587 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 -8.174 16.600 -10.047 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 3.296 -6.420 3.274 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 7.183 3.759 11.216 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 -4.538 -12.832 -1.925 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 0.330 -2.685 1.196 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 -23.514 1.707 -11.091 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 1.207 20.536 -12.723 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 2.877 -0.245 5.283 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 -3.226 -28.950 0.273 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 25.562 2.325 0.537 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 -0.918 5.928 5.700 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 -1.791 3.327 7.064 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 1.903 0.333 7.563 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 1.733 -1.464 4.357 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 -8.071 -4.868 -3.027 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 -7.955 3.844 12.766 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 2.109 -6.406 -14.072 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 6.980 -9.640 -8.474 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 -15.161 0.798 -2.342 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 -4.794 -0.388 2.464 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 -12.526 9.758 11.943 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 12.405 8.601 -4.419 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 9.551 -2.850 -5.586 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 17.766 -23.990 31.130 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 2.897 6.165 -15.590 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 -3.451 1.302 0.149 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 -8.118 34.222 7.939 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 5.383 6.360 3.714 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 0.975 -4.353 5.941 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 7.161 -22.648 -5.311 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 -5.478 -14.027 -3.146 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 2.303 -0.726 -0.775 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 -20.413 -8.675 7.059 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 20.667 12.462 -3.419 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 -2.254 -0.060 1.889 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 -17.754 -10.214 11.468 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 -14.855 -4.046 -3.795 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 -6.298 -2.188 2.148 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 13.689 0.429 -2.334 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 -17.979 4.644 22.708 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 -5.325 2.949 -4.147 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 4.810 -6.171 -32.599 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 -29.452 -30.883 14.809 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 -5.402 1.740 2.452 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 -10.373 -11.477 7.056 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 -6.494 -0.811 3.903 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 0.150 -0.721 2.234 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 -7.592 -6.733 -13.483 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 -14.204 -0.822 14.040 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 -6.653 5.328 -3.152 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 22.151 -23.221 -19.352 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 -18.057 -23.233 12.795 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 -5.127 -6.316 -0.602 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 -4.114 -11.780 9.187 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 19.123 -21.619 -12.347 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 -3.773 3.792 5.116 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 -9.499 13.522 5.125 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 2.146 -9.545 5.590 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 0.213 6.640 -4.596 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 -2.843 5.048 -2.171 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 4.296 0.128 23.241 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 -4.195 -2.286 5.030 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 7.569 -16.968 -11.595 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 13.717 11.197 12.643 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 -2.241 -0.054 -1.666 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 -0.690 3.710 -3.182 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 2.860 -1.370 -6.539 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 -2.360 1.492 0.967 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 -14.042 -10.472 -11.617 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 16.954 -10.743 8.900 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 -0.121 -1.403 2.128 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 1.561 13.682 3.525 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 4.289 1.210 24.770 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 -2.242 -1.000 -3.783 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 11.062 -2.139 -3.167 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 14.955 10.258 4.938 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 7.383 -1.606 0.883 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 12.813 -2.348 -14.362 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 8.022 2.826 5.678 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 -0.759 -4.013 -5.971 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 -11.855 -6.253 -49.346 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 -12.428 9.263 -0.740 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 -0.636 2.728 5.890 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 7.261 -24.787 17.985 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 42.071 -3.580 -25.863 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 -5.585 -0.128 6.882 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 2.815 -2.514 -1.227 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 32.909 -10.564 -21.446 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 -1.910 -0.053 -2.464 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 9.839 -3.486 -2.584 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 -8.694 18.029 -4.552 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 -3.362 3.173 -1.516 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 3.993 -2.693 -10.991 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 20.077 -11.113 -14.705 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 -0.163 -0.541 1.522 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 -6.061 24.945 15.571 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 26.534 -4.923 -7.233 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 -8.071 -2.082 -3.401 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 -8.421 -1.842 -4.663 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 -6.483 -7.590 -22.339 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 4.622 -0.684 7.631 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 4.490 -2.692 2.301 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 -1.745 -0.303 4.121 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 5.309 2.462 5.016 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 5.796 14.599 17.326 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 10.715 6.628 9.591 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 3.567 -0.308 -3.018 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 -23.868 -19.794 14.367 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 -3.306 -24.720 -21.670 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 -4.112 -8.093 -5.684 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 -6.420 -13.191 -10.169 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 -3.113 -29.269 0.943 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 -7.003 2.195 -1.538 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 -3.996 10.361 -4.840 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 -2.110 5.439 3.958 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 -0.964 -4.279 4.589 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 6.720 -22.502 -7.499 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 1.340 -25.662 5.907 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 3.239 -3.240 -0.949 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 1.528 2.972 2.702 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 7.766 -0.642 -8.359 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 3.798 0.414 0.021 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 -17.303 -6.357 -3.708 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 27.622 -4.971 -18.586 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 10.549 4.660 0.671 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 16.401 8.167 -0.624 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 11.257 3.977 -0.477 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 2.980 -3.432 0.789 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 -6.926 -15.682 -43.206 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 -19.738 18.611 -1.128 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 4.588 -2.245 2.362 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 7.319 1.475 -2.169 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 -0.728 -0.582 3.822 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 -1.664 0.523 -0.003 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 7.625 2.416 -1.434 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 -3.330 10.071 3.361 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 1.494 -4.300 -0.296 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 -16.066 -19.536 7.192 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 18.513 1.493 -11.249 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 0.415 -6.499 -6.885 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 20.687 0.261 14.172 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 -8.634 1.230 -7.031 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 1.344 -5.617 4.220 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 14.273 -21.138 14.360 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 -12.003 -1.643 20.103 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 1.201 -2.837 0.445 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 -12.921 12.292 3.529 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 -3.169 -12.140 -18.203 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 -0.735 3.291 7.304 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 32.464 30.995 8.159 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 -14.991 -8.280 6.352 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 2.992 0.416 5.284 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 -2.343 9.428 17.253 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 -1.204 7.937 13.613 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 -2.022 0.421 5.012 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 -7.158 4.340 9.750 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 -0.961 -5.916 0.503 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 -6.980 3.562 -0.581 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 -5.509 3.595 0.593 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 -13.901 5.456 -11.147 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 -0.364 3.799 3.872 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 -9.684 15.678 7.005 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 9.546 -12.440 8.410 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 -5.012 -2.361 -3.050 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 12.927 0.183 -3.076 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 37.324 4.061 -2.751 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 -5.706 2.925 -5.789 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 -22.738 -0.686 -2.968 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 -2.613 -5.897 -19.843 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 7.545 1.503 -1.844 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 3.244 -23.954 -12.897 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 2.246 0.595 -22.646 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 7.164 -1.228 0.993 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 -0.424 -33.911 -9.475 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 9.553 -3.292 31.517 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 -2.106 5.441 -6.294 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 1.599 7.391 -2.414 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 -1.576 24.322 -10.435 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 -5.738 0.212 -0.557 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 -20.826 25.828 6.316 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 -23.170 30.078 -6.347 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 -1.070 9.510 -0.236 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 -8.630 -3.350 -2.100 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 2.947 -2.737 5.635 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 5.341 2.524 0.413 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 -1.049 -2.240 16.383 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 12.371 3.101 2.732 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 0.473 -4.336 -8.174 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 -20.931 -15.110 -12.776 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 17.639 4.366 -11.801 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 4.209 -1.427 5.813 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 12.291 -10.909 -13.946 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 -0.022 22.964 2.159 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 -5.534 2.975 5.665 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 0.100 -4.655 11.767 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 -5.595 3.296 4.261 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 -2.571 8.966 0.030 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 -8.601 5.575 4.422 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 -13.277 -9.206 0.200 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 9.132 1.243 -1.868 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 -5.154 -17.055 1.358 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 7.111 -12.944 8.140 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 -1.234 -1.956 -9.448 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 18.362 4.576 7.898 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 7.510 0.426 7.109 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 -3.132 9.882 -3.737 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 -12.429 10.091 -11.453 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 -6.567 2.380 6.437 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 2.368 -0.678 -2.341 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 9.384 3.530 9.298 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 -13.436 37.060 -44.513 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 -1.850 -0.357 3.678 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 -1.974 -13.415 9.016 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 -2.170 7.742 15.059 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 4.069 3.174 -4.563 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 0.450 0.373 11.735 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 23.662 1.579 -4.778 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 -3.215 -1.511 3.060 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 11.652 -14.901 12.332 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 -4.798 11.335 -6.481 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 2.284 0.552 -7.648 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 -18.662 -0.645 -2.945 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 7.315 18.649 -1.417 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 2.570 5.875 -2.680 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 3.075 1.603 -6.659 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 6.884 5.629 18.571 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 3.983 -1.630 -0.492 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 18.568 22.524 -10.359 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 2.380 -8.423 -10.953 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 -4.327 -3.863 1.717 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 -23.083 -1.656 -4.847 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 -5.458 -0.567 1.588 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 0.271 -3.466 -4.282 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 4.314 -1.438 -7.601 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 -13.090 8.600 -12.435 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 0.214 -2.018 -3.090 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 -11.539 -15.929 -9.264 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 -5.236 -9.863 -4.183 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 -2.563 4.456 6.001 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 8.852 -1.688 14.259 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 2.580 15.385 -10.268 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 7.607 -0.179 2.967 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 -4.414 -14.577 -4.270 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 8.405 0.072 22.055 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 -1.055 -2.825 5.614 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 5.658 -8.762 25.778 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 -3.082 -1.247 1.889 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 -0.801 -7.955 -7.222 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 15.504 -5.811 -3.007 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 8.532 -8.934 -12.050 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 -3.700 -6.285 2.202 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 2.723 -7.448 -9.135 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 2.540 0.139 7.553 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 0.514 0.486 -3.994 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 22.634 17.026 23.811 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 18.797 14.916 16.398 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 -1.571 1.016 -0.255 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 -3.457 15.498 1.394 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 8.874 -12.770 12.572 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 1.118 -8.225 -6.259 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 -2.239 11.688 -17.617 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 -3.758 -4.670 -20.778 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 9.918 2.887 -3.062 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 15.844 10.024 6.649 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 2.088 -7.215 3.688 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 -8.753 -4.607 0.789 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 -16.850 1.774 12.649 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 0.576 3.576 -1.666 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 2.986 2.432 -0.203 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 11.730 10.375 21.730 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 -6.502 -7.412 -14.761 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 3.608 -2.461 -3.003 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 -10.360 5.350 -3.066 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 -3.903 2.892 -18.776 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 -1.521 1.177 0.882 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 4.302 10.264 3.642 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 7.790 19.766 7.078 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 1.027 4.077 2.055 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 0.349 5.297 -4.039 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 -3.893 9.603 -23.242 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 1.471 3.899 -6.044 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 0.972 -3.110 1.472 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 -5.281 -7.593 2.794 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 5.149 -3.308 0.730 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 -10.093 3.800 28.219 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 6.344 -3.174 -3.429 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 9.391 10.562 3.793 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 6.129 -0.115 -5.189 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 13.807 1.636 4.312 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 1.221 1.328 3.057 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 -13.128 7.495 8.838 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 2.339 -13.474 6.023 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 9.090 1.336 6.735 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 12.341 26.424 3.016 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 6.403 9.615 18.143 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 5.857 3.902 4.883 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 12.538 -13.769 -12.999 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 3.927 7.535 5.603 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 0.739 -2.307 0.520 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 19.287 -7.706 11.215 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 -7.566 -21.348 -6.916 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 -2.811 7.292 -4.250 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 -0.690 7.949 -13.015 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 -15.714 -1.716 -5.247 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 -5.478 -0.658 -0.133 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 -6.153 3.536 0.082 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 -3.164 -16.778 -7.196 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 3.727 -3.688 -2.369 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 -2.053 -18.037 11.451 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 6.959 11.289 -7.291 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 6.216 -1.568 7.818 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 -25.651 -0.587 0.548 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 2.890 -10.314 44.024 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 5.813 -0.963 2.859 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 22.280 7.230 -3.547 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 -3.794 5.149 -2.777 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 -1.585 -0.547 -6.438 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 -8.250 -14.470 -16.368 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 -9.275 -2.010 -10.984 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 4.575 -0.202 -0.295 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 -4.748 0.211 2.742 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 1.373 -4.771 -14.747 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 10.188 1.507 -4.389 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 18.359 -14.528 -14.400 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 -2.076 20.540 -6.509 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 -1.763 2.390 -1.622 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 -4.918 13.107 -16.922 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 -13.942 0.501 -19.423 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 -2.765 -0.694 -3.143 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 0.792 -8.587 8.985 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 2.944 -18.943 36.179 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 -9.493 -5.696 -1.321 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 -5.571 -1.122 -5.697 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 -1.929 10.468 -16.863 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 -3.932 3.902 1.837 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 28.096 7.578 -10.932 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 -8.149 -0.600 -0.821 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 -2.901 2.498 -3.299 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 -0.528 9.393 7.430 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 -9.791 -14.728 -16.300 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 0.142 -0.204 -4.352 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 5.377 19.957 -8.629 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 13.298 -2.082 -11.131 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 -0.149 -4.347 -5.004 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 -6.267 -2.932 -4.603 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 6.946 -1.794 -3.858 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 -3.761 1.844 -2.119 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 -8.003 8.452 10.992 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 -11.252 17.718 3.869 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 -4.660 3.163 5.790 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 -1.743 3.947 -8.237 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 8.075 2.800 -5.328 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 -5.318 0.721 1.978 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 -2.510 -8.997 0.991 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 3.959 1.377 10.727 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 -0.571 4.957 -3.167 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 -2.713 1.971 4.902 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 -14.862 8.385 2.368 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 -2.028 0.462 -1.899 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 -7.870 -11.229 -7.138 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 -12.527 -3.987 4.687 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 8.182 -1.530 1.805 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 6.983 4.719 15.094 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 -8.218 -6.977 1.028 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 -8.313 0.900 -2.460 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 -9.412 -0.818 -2.459 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 -6.472 -0.883 -2.834 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 -0.685 1.364 -4.135 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 0.408 11.056 20.391 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 18.525 -1.180 -12.608 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 1.135 2.638 -0.194 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 -5.725 -0.183 22.970 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 -20.721 0.459 -7.181 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 -2.049 -4.354 4.052 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 4.750 -13.569 -26.823 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 -1.954 1.820 1.269 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 1.219 6.663 0.229 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 -8.247 -0.745 3.712 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 6.487 15.115 1.245 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 4.888 3.153 3.122 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 0.354 -15.670 5.168 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 -4.771 -6.230 -16.141 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 0.292 1.386 0.492 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 4.042 0.057 -2.897 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 -0.329 2.374 -2.406 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 2.633 3.711 0.922 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 -4.581 1.447 -12.237 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 16.424 6.046 -4.492 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 -1.576 -0.941 -1.740 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 15.522 -4.765 -4.904 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 15.263 4.998 18.345 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 4.179 -1.919 -1.424 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 25.328 -22.160 6.613 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 5.826 -3.740 -1.025 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 -0.531 0.102 -2.900 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 -2.375 0.872 -0.730 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 -5.581 3.189 2.845 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 0.636 -4.229 -3.697 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 13.654 0.717 -2.698 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 -6.383 4.400 -13.247 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 2.567 -1.420 3.271 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 -12.178 14.318 1.870 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 11.011 1.162 13.547 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 -0.700 -2.347 -8.538 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 1.356 4.579 6.863 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 11.828 -14.314 -9.614 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 4.822 -7.523 3.706 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 0.755 -15.370 6.763 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 8.228 -0.442 -0.441 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 0.131 -4.707 -7.595 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 6.679 -17.138 -15.648 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 12.152 5.958 -10.153 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 0.960 -5.126 -1.008 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 15.488 -9.304 14.276 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 9.360 -13.980 -12.988 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 2.929 -0.643 1.912 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 3.517 1.454 10.036 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 -0.090 -11.380 4.695 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 -4.147 -3.722 1.028 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 3.980 5.981 -10.541 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 -3.406 7.696 20.248 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 0.660 -8.795 -4.242 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 -21.794 -8.760 -1.079 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 8.533 16.783 -4.322 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 -2.312 3.929 1.239 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 8.338 20.888 9.986 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 6.167 -26.376 -3.199 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 8.617 -6.897 -3.516 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 5.052 -6.679 5.039 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 -4.137 28.774 51.402 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 2.947 2.018 0.190 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 2.259 -10.106 -1.283 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 2.258 -2.973 -1.447 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 2.840 2.056 -0.927 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 5.041 6.204 -1.739 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 3.946 2.550 -5.275 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 1.699 0.284 1.098 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 0.997 9.189 -16.259 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 4.401 -7.334 15.424 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 -4.833 -2.900 0.776 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 21.077 -12.719 17.856 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 1.589 26.893 -13.981 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 -2.992 9.936 5.993 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 -13.175 0.672 23.290 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 -13.582 -8.372 9.632 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 0.248 4.249 8.242 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 3.281 -13.390 21.741 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 5.092 -6.691 0.451 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 -5.236 -1.378 -3.117 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 13.575 36.194 11.567 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 -23.373 6.026 -43.416 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 -2.179 -0.405 0.530 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 -5.106 9.731 15.890 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 -22.920 -5.779 -15.974 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 4.269 -1.182 -4.259 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 -10.431 -0.177 -9.246 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 12.912 6.251 2.698 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 1.786 4.172 3.352 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 20.909 5.701 14.178 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 7.800 -3.879 -17.350 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 5.331 -2.509 1.081 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 -16.009 6.345 -10.457 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 18.691 -2.739 5.399 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 3.110 1.037 -4.398 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 -30.820 19.119 -3.331 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 12.594 30.315 -14.490 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 -2.526 -3.167 -3.493 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 -9.851 -8.717 2.907 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 6.176 -0.500 -2.365 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 2.699 0.160 1.304 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 20.907 -13.635 -8.737 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 -7.040 -11.310 -18.801 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 1.900 2.643 -4.821 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 9.818 -3.722 0.508 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 -8.085 -4.712 -7.725 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 3.781 2.645 -2.328 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 -1.072 -11.041 7.780 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 -6.022 15.984 4.006 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 1.428 3.775 4.476 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 19.509 27.548 -6.012 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 14.350 34.970 -8.556 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 6.188 -0.328 -1.204 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 5.165 12.471 8.147 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 9.961 -3.490 2.664 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 -6.826 -2.815 1.892 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 -1.728 16.964 -8.106 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 -5.798 -9.162 -7.509 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 3.451 1.966 4.098 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 6.088 -5.282 -1.681 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 -1.704 7.415 0.522 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 1.644 -1.073 -0.196 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 1.573 4.688 11.881 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 -13.015 6.588 -9.536 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 2.535 -0.789 3.539 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 16.569 11.031 16.249 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 11.234 4.259 11.369 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 4.779 -0.651 6.910 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 -3.317 -24.663 1.356 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 -1.112 3.991 -0.589 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 3.156 -4.463 -0.564 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 1.782 -10.315 -8.351 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 -1.612 1.216 1.682 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 1.085 -2.792 -0.066 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 7.556 -5.166 8.309 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 -10.419 10.749 -18.306 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 3.453 0.031 2.218 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 3.447 -2.479 -3.978 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 7.351 -2.656 6.652 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 2.512 3.841 3.089 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 -10.378 23.075 -2.165 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 9.209 2.911 14.059 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 -0.477 0.783 2.801 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 11.174 8.527 -13.175 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 -11.401 -15.197 -5.204 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 2.423 1.944 -4.996 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 2.511 1.985 -11.807 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 7.598 7.934 -8.367 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 5.891 2.493 -1.085 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 10.233 -16.369 -5.324 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 -0.345 16.737 7.715 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 1.122 -7.082 -0.201 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 -12.045 -22.555 -19.823 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 3.659 5.731 5.321 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 6.144 0.704 -1.230 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 -12.523 16.002 -2.278 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 -2.685 -1.116 19.131 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 -1.311 2.990 1.530 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 -0.521 -8.198 11.613 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 -2.601 25.603 -16.365 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 1.229 3.316 -1.527 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 4.938 16.811 -9.755 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 4.975 9.562 0.787 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 -1.707 0.012 0.295 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 -1.435 -4.532 -4.657 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 18.438 16.580 4.155 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 -0.320 0.997 2.914 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 -14.030 8.037 -11.410 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 -15.510 8.850 -19.939 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 -5.617 0.515 0.403 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 -14.450 -7.931 -4.004 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 1.528 11.044 13.664 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 -0.431 -7.258 -3.135 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 0.714 -9.613 -5.171 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 -1.275 -6.132 0.792 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 7.665 -5.432 0.909 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 25.252 0.989 5.571 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 1.934 -21.552 -10.761 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 2.429 -1.792 0.360 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 -5.127 5.696 3.949 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 8.338 -14.252 15.239 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 -0.801 5.191 1.858 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 12.846 7.935 1.907 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 -2.306 -3.221 -11.416 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 -2.902 9.187 -9.452 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 -9.805 23.165 -7.517 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 13.331 24.692 21.975 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 -3.509 -1.263 1.905 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 -8.098 -5.751 -11.266 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 8.519 4.663 -0.368 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 -6.429 0.051 -1.998 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 -13.044 17.107 -4.227 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 3.179 -16.128 -4.068 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 4.453 -2.854 3.625 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 0.782 13.038 1.438 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 -6.852 -23.547 16.368 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 2.060 0.931 3.505 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 5.325 12.793 7.311 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 4.575 -11.522 3.183 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 -5.036 -0.903 0.486 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 -17.375 15.329 -0.754 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 12.309 2.447 11.605 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 8.231 2.702 -6.950 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 -1.082 8.257 1.914 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 -33.130 26.095 12.310 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 -5.111 0.638 1.234 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 7.176 26.494 16.053 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 -6.235 -1.818 -1.516 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 -2.287 -4.821 -0.767 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 6.444 -8.982 -7.551 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 -19.535 1.938 -13.500 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 -0.035 3.078 -0.227 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 -10.017 -0.838 6.222 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 -13.987 -9.566 6.384 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 1.411 -9.932 -6.361 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 10.168 -6.516 -9.473 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 -3.666 -16.063 -7.932 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 3.401 0.510 2.647 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 1.998 -26.857 1.048 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 9.215 14.031 3.830 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 7.725 5.288 1.304 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 13.003 13.213 -15.006 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 7.866 5.384 2.492 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 -1.497 4.183 -3.827 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 -13.833 1.203 9.075 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 0.666 10.305 10.919 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 1.097 0.918 -1.344 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 22.297 16.462 15.745 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 20.058 11.412 -7.618 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 -2.144 2.583 -0.632 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 7.453 -16.735 -1.325 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 9.936 -4.450 -6.989 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 2.046 8.975 1.937 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 4.438 3.279 5.086 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 5.610 8.648 -4.939 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 -3.346 -1.748 10.360 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 -3.282 3.892 6.306 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 3.047 -1.813 12.515 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 2.803 2.625 0.142 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 -6.339 5.735 4.070 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 8.735 1.925 8.279 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 3.984 -2.753 4.463 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 -2.132 -19.517 10.031 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 -12.379 -10.522 -1.793 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 2.904 0.620 0.563 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 0.421 -13.609 2.523 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 10.971 -9.866 0.650 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 1.901 -6.641 2.057 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 2.486 19.146 -10.085 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 1.816 -2.690 0.578 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 -3.184 7.481 6.330 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 -6.092 -16.817 6.299 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 -1.809 13.375 15.635 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 1.923 -6.236 -1.566 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 17.390 -7.236 -4.670 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 -18.514 -4.462 2.320 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 -2.056 0.214 -3.203 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 5.281 -6.994 3.144 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 -10.901 12.375 -14.539 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 -1.585 -2.013 -0.329 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 2.504 17.222 -1.203 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 13.622 4.528 -5.384 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 2.180 -2.117 -5.521 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 3.560 -19.169 -10.363 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 23.685 5.521 7.307 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 -0.970 5.897 -1.580 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 17.879 10.542 -9.549 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 0.266 -8.351 -11.794 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 1.771 2.694 -1.743 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 -1.475 4.411 8.621 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 -2.023 0.469 -9.322 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 -1.017 0.129 -1.726 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 6.383 -2.279 5.769 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 -2.993 -1.370 -4.937 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 -4.639 -5.078 -5.466 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 -7.328 -1.846 -9.193 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 -6.690 -2.321 -8.273 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 6.127 -6.343 2.380 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 3.969 16.435 -6.523 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 2.790 -2.010 7.364 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 -8.761 4.078 6.007 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 -23.387 4.203 23.270 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 -1.316 12.482 -18.764 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 -6.540 2.240 0.061 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 -6.079 2.847 13.587 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 -13.163 2.263 12.971 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 1.804 4.406 3.066 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 -5.025 14.161 6.730 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 1.342 13.268 16.813 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 -2.546 3.855 -1.574 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 11.374 1.029 -1.236 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 -0.324 -2.717 -0.754 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 -1.213 0.819 6.472 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 3.171 2.577 3.600 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 -16.207 12.068 -10.229 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 -3.907 2.714 -5.658 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 -19.546 -4.683 -20.732 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 -16.413 5.690 14.739 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 -0.904 -1.819 -2.616 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 -11.825 5.738 10.137 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 -1.915 -6.835 -6.189 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 2.139 4.099 6.993 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 -2.922 6.141 4.939 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 4.050 0.358 -1.950 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 1.634 -7.315 5.221 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 -0.741 -1.865 17.368 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 -14.678 2.962 10.749 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 -0.031 -1.120 3.194 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 9.361 -4.054 6.569 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 4.089 -2.824 -3.538 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 2.724 1.387 -0.053 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 28.090 -22.527 -10.374 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 -11.465 -26.467 14.308 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 -3.396 1.018 -2.459 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 -3.034 9.402 12.264 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 14.357 6.428 -12.113 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 4.119 3.133 2.625 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 3.577 -9.243 -13.608 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 3.907 10.188 14.355 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 -2.069 0.200 0.879 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 11.255 -9.999 -21.877 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 -2.265 8.473 16.144 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 0.496 -5.587 4.810 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 5.321 0.938 0.791 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 3.993 -12.873 -7.415 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 0.821 -6.816 -1.846 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 -10.410 -15.667 7.813 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 -0.149 9.478 4.185 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 -0.742 7.025 2.063 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 -20.700 14.860 0.350 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 13.456 -3.281 1.657 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 -6.011 7.257 -0.561 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 -15.213 8.562 0.548 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 20.777 -13.610 14.350 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 -10.697 -2.847 -0.313 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 -24.755 2.850 14.458 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 6.086 -12.595 2.164 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 5.068 -0.049 -7.432 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 -22.267 20.911 -23.244 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 0.042 -4.114 -3.382 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 -0.704 -1.102 -1.056 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 -14.177 7.497 23.109 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 -8.886 3.868 14.700 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 1.510 7.513 6.015 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 -11.935 5.890 -11.911 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 -0.956 7.663 -3.275 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 -2.205 -4.216 2.311 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 -3.551 -12.084 21.109 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 -12.534 11.562 -2.298 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 -2.454 5.957 7.405 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 -4.621 0.985 15.314 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 -4.070 12.993 -5.818 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 2.297 -5.170 -9.841 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 0.754 -23.863 -0.652 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 23.308 -3.703 -10.353 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 -7.742 3.487 3.971 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 10.964 -7.520 -2.943 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 -6.627 -14.878 18.534 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 4.076 3.440 2.255 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 -7.213 -11.403 17.609 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 6.892 9.504 10.460 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 -5.656 1.256 -6.933 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 -14.579 19.535 -17.541 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 8.534 -3.848 20.091 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 -1.202 -5.363 1.825 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 -11.099 -19.199 24.398 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 -37.883 -19.924 -14.095 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 -3.815 -10.972 -0.714 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 -17.756 -2.585 11.920 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 1.085 3.474 -14.078 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 -4.764 -5.337 -5.563 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 -5.992 -1.558 -2.321 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 -5.553 -1.210 -5.723 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 4.249 -2.138 -2.379 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 1.724 16.138 -7.503 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 6.419 -3.485 -16.707 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 7.491 2.683 -0.045 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 7.071 1.896 -17.677 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 9.924 12.735 -4.354 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 4.455 1.555 -1.039 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 5.758 -0.910 -1.653 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 11.856 -0.212 -3.228 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 -5.553 -4.632 -0.415 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 -6.357 -12.133 -3.063 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 3.240 -3.005 4.722 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 -0.406 2.550 -2.521 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 5.344 -4.099 -3.624 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 4.274 -10.527 -12.415 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 -8.969 4.300 -4.395 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 -5.331 0.986 -12.374 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 -10.539 15.190 -6.414 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 2.311 -5.779 -8.316 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 -0.869 -9.166 -4.925 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 18.196 -9.289 -10.976 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 -3.172 2.134 -0.795 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 -19.602 -4.830 -6.795 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 9.097 3.503 -17.484 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 -1.171 2.408 2.181 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 -6.597 -10.836 7.917 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 1.189 10.311 -0.990 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 4.582 6.423 2.210 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 -0.778 -5.340 -0.401 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 -4.020 -3.009 0.909 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 1.650 7.858 -3.304 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 6.429 -7.398 -12.942 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 -4.348 19.220 -7.967 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 2.076 0.184 0.282 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 3.931 -0.099 -2.536 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 4.351 -0.247 -1.190 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 -3.122 -5.257 1.150 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 -4.367 -1.435 6.074 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 0.458 -13.391 -1.210 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 3.342 1.315 1.134 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 8.750 -1.541 -1.184 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 3.898 5.827 2.369 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 -0.358 -1.732 -3.855 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 15.727 3.723 -6.093 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 -15.412 -3.775 -6.060 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 1.095 -4.191 -1.477 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 15.093 -15.662 -0.189 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 -6.658 -2.895 -7.965 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 3.059 0.054 6.282 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 -17.216 -0.521 -27.982 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 -31.558 15.898 1.286 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 -0.444 2.878 -1.154 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 -9.332 -23.498 -3.006 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 4.063 17.314 -1.934 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 2.647 4.671 4.043 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 31.878 -0.532 -6.719 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 12.872 0.384 -27.340 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 -4.217 -4.931 -0.567 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 3.123 9.318 -5.355 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 11.999 -13.399 -11.057 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 -7.161 -3.045 10.259 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 -12.597 -0.236 6.884 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 1.645 5.973 -5.927 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 0.074 -0.755 -5.578 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 -16.905 3.656 -6.121 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 10.423 -1.457 1.891 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 -2.821 -1.384 -2.597 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 1.812 10.798 4.870 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 -20.090 -2.112 4.891 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 -0.210 3.341 -7.020 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 -7.448 8.295 -20.204 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 8.161 11.964 -5.596 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 -1.983 -0.041 -1.393 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 22.136 -0.511 -6.064 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 5.378 -7.019 -2.685 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 -6.092 -6.101 -4.855 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 0.748 -0.554 -15.940 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 9.928 -15.765 2.123 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 -1.052 0.578 -1.088 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 -5.285 10.315 2.260 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 13.233 11.955 3.304 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 -1.957 4.663 9.255 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 -1.838 5.009 8.797 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 6.630 0.399 7.351 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 2.961 -0.024 -7.756 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 -0.944 -3.395 -1.726 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 14.001 2.442 -18.518 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 -2.968 -1.806 -4.326 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 -16.340 5.034 -10.905 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 6.900 -6.381 -0.238 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 2.730 -0.094 5.176 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 -2.556 -14.115 -1.313 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 6.145 16.516 -6.602 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 -10.252 -4.007 -5.632 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 -10.574 -6.117 -5.731 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 -2.209 22.033 -6.579 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 4.926 2.892 3.513 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 0.130 -4.884 -1.802 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 -13.431 24.036 -28.691 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 -0.876 -1.435 -0.441 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 -2.693 11.001 6.775 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 1.352 6.331 -12.930 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 2.053 -5.614 -6.322 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 43.166 20.088 2.196 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 -15.314 -15.871 -10.388 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 0.229 10.195 -2.273 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 -1.723 -14.055 32.237 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 14.640 -1.206 -14.509 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 -0.659 7.403 -1.116 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 -0.157 7.918 4.876 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 -4.394 9.736 -4.720 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 3.347 3.032 2.360 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 -2.049 5.330 2.747 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 0.815 0.911 13.219 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 -8.989 2.547 1.079 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 -7.262 15.982 -4.941 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 3.505 -4.855 -1.659 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 1.693 0.162 -0.443 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 -19.970 25.790 1.894 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 -6.805 20.943 10.999 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 8.445 -4.570 5.109 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 15.628 1.786 -16.845 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 25.318 -6.534 5.875 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 -5.914 -2.830 4.863 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 17.420 -4.113 -4.438 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 1.829 -5.352 -20.304 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 3.532 2.253 -0.046 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 -14.886 11.472 -12.974 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 25.907 25.915 0.123 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 -0.490 1.929 -7.501 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 -5.135 5.815 -23.431 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 -8.508 6.009 2.588 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 -5.443 -9.052 9.327 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 -5.195 -7.218 10.776 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 -2.486 1.145 13.555 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 -3.681 5.147 2.463 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 -6.221 2.596 2.490 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 0.987 2.850 2.001 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 -0.728 -0.960 3.989 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 14.062 -12.654 -14.850 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 10.875 -19.605 10.481 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 1.146 2.870 3.770 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 16.595 -2.372 15.664 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 4.763 11.099 -3.237 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 2.507 -3.067 8.798 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 3.862 -10.345 0.316 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 8.332 -33.098 -18.190 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 2.777 0.288 -1.861 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 -2.151 -0.770 -23.067 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 0.936 -1.866 -19.318 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 -7.827 3.700 -2.905 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 0.591 4.210 -9.789 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 -8.905 10.717 2.047 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 -1.184 9.495 5.199 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 -15.354 10.485 -5.226 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 20.147 -10.979 14.910 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 7.403 2.416 0.094 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 5.441 -0.685 -5.075 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 0.288 -5.671 6.048 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 -9.255 0.399 2.139 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 -8.876 -5.401 2.839 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 -13.013 0.106 -2.144 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 0.301 6.462 5.074 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 6.201 8.120 0.658 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 6.903 12.576 -14.180 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 2.255 -4.648 -6.867 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 11.429 -1.492 3.054 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 2.055 -3.917 -12.819 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 0.109 -0.597 0.072 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 -9.153 -0.663 -13.942 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 17.203 -16.906 -1.294 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 -2.061 -6.148 1.857 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 -14.826 4.578 1.826 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 2.219 9.504 5.667 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 4.946 -3.500 -1.904 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 -3.119 -17.794 -11.835 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 15.517 12.539 8.995 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 0.319 -3.760 -2.019 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 18.653 -15.171 11.689 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 2.033 -8.370 -5.273 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 1.102 3.133 -3.090 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 -0.210 5.698 -9.168 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 13.376 -2.632 -9.375 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 -3.326 4.837 3.792 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 -8.407 2.320 2.973 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 -13.107 -1.617 3.222 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 -8.197 -4.393 3.676 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 -11.290 -1.666 1.481 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 3.138 -14.560 15.551 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 -5.645 -0.285 -4.007 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 12.118 -15.461 -1.993 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 -4.610 -5.470 -7.408 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 -11.499 4.347 2.852 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 21.616 -9.036 11.002 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 11.406 6.408 8.142 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 0.481 1.234 -1.959 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 -10.639 9.526 -19.639 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 10.154 -6.564 2.163 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 3.690 -0.137 3.753 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 26.446 -17.699 -17.354 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 13.835 -0.975 -4.019 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 -4.513 -6.730 -3.174 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 -7.030 -4.455 -6.604 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 -0.465 -4.015 7.473 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 4.840 2.803 -6.491 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 -6.295 -15.306 10.171 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 -13.265 -6.014 4.955 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 10.447 -0.259 2.177 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 4.663 2.778 6.777 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 34.697 -4.359 -26.925 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 -5.491 10.740 -1.428 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 -7.884 4.416 12.518 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 16.683 20.661 -13.566 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 0.124 5.881 -0.586 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 16.945 6.552 11.054 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 -6.109 -5.815 -5.543 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 -8.127 1.579 -8.400 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 -11.669 -7.909 -6.188 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 -6.269 11.658 -14.160 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 2.183 -1.950 -2.714 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 -16.876 -10.440 -5.954 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 -16.978 14.089 4.139 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 5.562 4.064 4.330 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 10.642 -7.959 19.553 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 14.799 4.083 -14.887 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 -4.958 0.690 -6.662 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 17.357 -6.117 5.538 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 19.627 -12.299 7.615 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 -2.025 -2.648 4.040 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 2.880 7.070 4.726 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 -3.841 -2.825 -8.825 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 -3.589 0.644 -0.189 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 -23.965 -14.117 -18.159 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 3.922 -1.566 -8.042 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 6.608 4.703 -0.756 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 12.896 -19.724 -19.053 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 5.470 29.372 14.547 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 0.843 3.943 -3.451 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 7.257 19.372 -6.189 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 6.235 18.266 -6.622 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 3.458 2.712 7.083 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 2.718 -18.136 8.859 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 6.417 -0.328 21.355 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 -2.696 -1.579 -2.104 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 -8.754 -9.544 -20.091 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 16.020 8.414 -9.874 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 -2.962 10.077 0.451 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 -6.094 1.413 -5.536 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 4.737 17.640 15.212 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 1.592 3.318 -1.962 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 6.952 14.317 7.498 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 10.263 27.496 -7.014 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 1.785 -2.909 3.740 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 0.285 1.969 -2.676 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 1.091 -12.861 -17.121 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 2.074 -2.588 3.607 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 12.393 -8.313 14.124 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 -0.639 -2.797 -0.074 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 3.104 -0.343 3.951 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 4.757 -24.442 -3.364 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 2.723 2.170 5.483 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 -1.650 -4.520 2.504 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 -11.194 -6.012 9.165 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 -11.160 -20.614 -3.127 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 -1.956 2.701 3.477 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 4.262 -22.550 -2.374 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 -6.732 18.282 1.872 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 2.959 -0.987 -6.064 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 -13.767 -1.881 1.846 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 13.252 2.635 -0.329 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 -2.228 -3.087 1.171 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 -6.777 -14.320 -2.163 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 -7.604 -2.875 1.816 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 1.732 6.032 7.410 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 13.671 21.884 5.191 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 2.254 -4.429 -3.445 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 -4.323 6.418 -3.026 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 -8.671 -20.737 -5.231 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 -9.187 34.500 11.260 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 3.432 -2.511 1.655 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 4.433 -6.111 4.239 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 8.366 -23.976 1.596 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 0.286 3.183 1.103 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 9.856 3.046 2.621 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 3.894 16.737 -9.378 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 3.227 8.941 -6.656 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 29.966 4.773 -8.460 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 -5.644 6.833 -7.544 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 -5.360 3.245 -3.772 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 -1.809 -11.669 1.660 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 3.499 -25.298 1.420 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 -3.428 3.461 -1.627 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 -16.014 -2.264 7.140 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 -0.214 6.003 -5.314 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 -1.844 -4.070 4.456 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 -9.881 5.792 7.079 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 -13.355 -17.675 7.585 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 -2.519 1.279 4.494 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 -10.493 8.283 3.172 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 -0.532 -1.774 -4.306 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 3.572 -1.824 -4.428 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 7.065 -10.198 -26.483 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 12.629 2.303 -3.402 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 -2.129 0.750 -1.491 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 11.012 7.966 -8.447 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 -10.238 13.885 -17.823 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 1.767 4.541 1.001 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 6.791 4.535 -3.010 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 4.373 -2.198 2.624 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 -1.199 3.411 -3.993 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 8.644 -5.571 4.880 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 -6.181 -5.918 -17.700 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 -3.196 5.146 -0.100 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 10.747 20.219 6.163 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 15.072 14.018 2.147 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 -0.199 0.027 1.518 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 -20.689 -11.058 10.194 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 -6.901 -4.777 -25.033 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 5.638 2.416 4.152 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 17.757 15.747 27.395 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 5.021 0.890 -6.254 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 -0.917 0.410 -2.064 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 6.198 -1.949 6.763 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 -27.026 -12.619 -21.278 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 2.797 -0.167 3.364 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 -24.490 7.141 -9.531 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 12.325 26.102 7.553 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 0.905 4.099 2.534 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 12.670 -6.466 13.571 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 -11.609 19.323 2.816 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 -3.202 1.743 -4.904 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 1.132 -2.089 14.447 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 -5.869 -0.120 -5.600 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 3.350 2.746 2.601 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 4.452 -14.423 4.753 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 3.542 3.585 2.663 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 -0.415 -2.226 -0.907 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 9.918 -2.721 6.314 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 21.597 -25.638 7.142 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 3.284 -1.901 2.329 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 15.181 -2.117 -27.361 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 8.827 -8.422 3.345 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 -8.030 -0.071 2.097 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 -24.682 14.474 10.077 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 0.447 -1.997 24.389 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 0.637 -0.466 3.083 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 -23.750 -10.324 4.944 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 19.651 -9.471 3.064 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 1.067 -4.675 2.914 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 5.775 -29.867 -17.972 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 3.226 -5.885 2.534 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 -5.930 -0.710 -2.433 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 10.430 -6.861 -30.785 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 -6.656 2.331 -0.424 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 2.025 0.752 0.643 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 -20.819 8.260 -13.795 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 8.170 -1.067 3.243 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 0.159 -1.802 1.972 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 -3.083 19.326 1.316 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 -1.052 -7.504 -6.486 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 -0.361 0.144 -5.033 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 22.218 -9.699 -3.617 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 -15.616 7.010 -7.083 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 -3.006 -2.857 -1.362 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 -8.497 0.141 9.241 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 3.951 0.053 -12.533 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 -2.249 -2.933 1.504 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 -8.509 1.842 11.440 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 -2.552 6.149 -6.030 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 -1.880 -8.089 -7.785 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 -15.867 -4.942 -12.651 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 5.398 7.754 -4.181 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 0.002 4.433 1.602 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 -0.762 0.146 -22.441 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 -1.393 -9.868 7.890 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 1.874 -1.467 -6.047 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 6.482 15.828 4.094 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 0.515 0.203 -6.511 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 -2.175 3.595 4.057 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 -15.895 9.666 25.860 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 -15.636 12.467 -8.245 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 5.131 3.919 1.907 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 1.265 -5.414 -3.796 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 5.184 11.055 -5.872 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 -1.596 -9.041 4.058 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 1.634 -12.185 0.043 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 17.273 -7.136 -3.237 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 -2.875 -1.504 -5.524 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 5.263 5.458 -21.092 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 8.651 -0.595 3.454 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 -0.114 -4.642 -0.986 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 31.277 23.307 -24.147 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 23.636 2.551 14.220 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 0.687 0.082 -0.518 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 -11.702 -2.301 -20.448 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 4.395 -14.780 5.627 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 2.490 1.115 -4.992 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 1.297 1.934 -5.528 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 -9.946 -26.780 -8.275 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 1.502 0.299 0.190 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 18.768 26.304 -13.290 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 -17.085 -12.436 8.650 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 1.795 0.629 -1.817 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 1.315 1.019 -0.306 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 2.028 -0.442 -0.824 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 -2.214 -3.377 5.980 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 14.928 29.371 -10.847 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 3.225 -8.397 5.517 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 -1.355 -0.590 4.181 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 -2.541 -1.378 5.626 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 -3.946 1.548 -4.691 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 -6.904 -2.568 -0.084 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 -3.017 -13.479 8.303 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 -10.086 -3.084 -1.169 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 -1.584 -3.244 -3.897 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 -20.577 14.440 15.473 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 -4.243 -26.354 21.674 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 5.873 -5.060 -2.371 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 9.044 -2.522 -20.821 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 4.027 -5.994 -7.500 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 -1.727 -1.233 -8.142 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 1.431 6.152 -6.450 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 7.317 6.773 -9.794 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 6.387 -0.768 5.230 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 0.507 -11.740 41.612 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 9.139 11.198 -11.946 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 0.497 -2.094 -1.991 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 11.124 7.837 -5.518 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 -20.995 -21.249 23.132 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 3.435 0.985 -1.431 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 2.281 -18.565 -14.476 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 13.388 21.034 -6.051 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 -3.414 3.378 -2.971 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 -2.638 -6.772 -0.771 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 -13.124 -16.518 -3.510 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 -0.665 -1.567 -0.605 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 -8.281 -0.872 -24.059 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 6.061 2.689 -21.954 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 0.376 4.345 -3.583 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 -10.197 -0.113 12.432 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 1.910 -10.899 -15.317 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 1.178 -5.639 -9.849 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 12.352 -16.166 -6.514 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 -2.704 -2.297 -6.420 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 -0.868 -4.014 4.384 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 -0.684 2.612 7.196 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 -13.537 8.308 6.729 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 -12.734 6.686 4.089 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 -14.772 12.237 0.763 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 19.863 -14.167 -6.162 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 4.270 9.210 -2.288 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 32.223 6.836 12.628 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 9.827 -9.888 1.701 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 4.230 1.109 -0.722 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 5.870 -32.564 -0.833 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 -16.191 2.135 10.177 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 -3.432 -0.717 3.758 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 6.105 -15.196 -0.425 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 -22.725 -3.987 -5.810 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 -5.956 4.416 -3.397 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 8.060 -35.851 29.703 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 6.360 -17.868 11.523 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 1.226 -2.408 -1.622 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 7.680 9.731 -26.558 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 3.365 -3.481 15.194 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 -4.521 6.176 1.490 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 8.600 -5.513 -13.454 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 -14.121 -5.814 21.407 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 -1.743 3.473 2.304 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 0.411 3.650 6.060 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 2.220 6.091 -2.326 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 -9.898 -0.446 4.851 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 -5.019 -12.237 2.348 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 1.695 -6.288 3.452 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 -2.633 5.479 1.034 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 -9.422 5.777 -0.180 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 -26.769 22.940 2.392 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 -6.733 3.751 -1.654 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 -3.271 -7.420 -15.117 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 14.759 12.268 -11.262 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 4.770 -6.779 4.608 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 25.176 -1.182 4.574 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 17.727 4.940 23.186 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 -6.011 4.825 1.880 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 -10.511 -2.770 -11.837 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 -10.562 -5.094 15.073 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 9.013 -3.920 -6.506 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 -0.616 -16.849 -1.674 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 -4.891 -25.041 0.996 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 3.443 -1.051 -1.326 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 -13.577 -3.670 -21.688 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 -10.415 6.454 13.406 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 9.843 -2.482 -6.910 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 15.292 -10.429 -23.833 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 11.633 -1.559 11.027 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 -4.705 -4.323 -4.239 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 17.702 -0.057 2.207 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 -8.290 -3.668 -2.912 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 -8.352 -3.402 -2.768 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 -18.942 -15.894 8.064 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 2.612 -3.838 -8.829 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 -3.782 -7.975 -5.847 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 4.961 3.911 20.654 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 11.272 4.375 23.688 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 0.543 0.222 2.975 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 -8.999 -0.717 4.190 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 -11.605 1.434 14.326 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 -2.548 -4.053 -2.610 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 7.244 20.039 9.328 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 5.856 18.163 9.489 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 -1.880 1.413 1.772 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 16.600 -9.251 1.911 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 3.151 12.237 6.057 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 4.396 10.871 -5.670 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 6.774 9.682 -6.239 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 5.202 13.373 -5.466 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 2.283 4.683 9.009 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 -18.307 -14.119 -11.721 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 -7.385 -8.799 -3.221 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 -0.607 -7.384 1.093 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 4.994 6.246 0.423 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 -8.835 -15.218 -5.397 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 -2.898 1.483 -2.849 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 -20.045 -3.895 2.101 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 15.376 -0.959 -9.999 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 2.558 -4.820 0.644 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 -0.261 1.972 3.111 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 -4.155 28.996 7.022 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 7.782 -5.172 3.633 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 10.507 -11.861 11.525 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 9.598 3.554 8.727 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 -5.950 -0.169 -1.648 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 0.845 -3.449 14.143 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 13.336 -0.288 -9.794 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 4.377 9.739 3.073 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 -21.611 -6.726 -9.435 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 -23.242 -2.738 -1.172 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 -2.919 10.706 -3.277 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 1.885 -26.455 -8.065 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 12.254 9.988 -0.654 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 0.162 -5.729 2.623 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 13.523 17.903 9.844 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 -0.550 -11.371 -13.943 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 2.577 -1.321 2.019 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 -9.499 0.568 -14.587 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 19.021 31.250 -14.112 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 0.935 -2.011 -1.993 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 5.314 1.242 -7.618 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 4.634 -9.365 -2.819 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 3.885 5.059 -3.201 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 2.857 4.251 -8.365 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 7.627 19.367 2.480 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 5.526 1.766 -6.948 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 -9.961 8.633 -3.803 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 -0.954 1.109 -8.659 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 -1.031 -3.254 4.461 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 -32.648 6.822 9.308 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 20.046 -33.101 -19.822 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 0.377 1.298 -2.411 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 -8.284 2.613 -17.830 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 -3.951 -2.604 -23.388 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 -4.672 -2.221 -3.039 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 0.394 2.525 3.899 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 -8.078 6.238 8.267 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 1.741 2.548 -1.044 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 2.400 -7.497 -14.774 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 -9.390 20.326 9.146 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 1.181 0.540 -3.260 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 -15.869 -0.778 -2.550 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 10.886 4.177 0.960 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 0.188 -6.914 0.062 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 -3.283 -6.861 1.106 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 -18.245 6.911 -2.066 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 -2.109 2.628 -1.181 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 -28.485 -5.211 -5.237 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 2.877 6.416 1.952 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 -1.302 -4.734 -7.469 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 1.816 2.624 -3.514 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 6.455 -4.566 -10.027 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 -3.823 -0.060 1.763 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 -4.839 10.191 3.946 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 -2.992 -6.232 0.490 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 2.468 -2.291 6.209 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 6.457 2.419 6.662 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 -9.879 -18.045 7.170 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 -2.510 2.175 -4.845 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 -4.582 14.664 -7.757 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 -12.318 -3.667 5.893 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 -1.839 2.174 1.055 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 7.521 4.336 1.610 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 -15.428 2.701 -4.556 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 5.507 -7.337 2.830 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 5.186 -5.078 3.336 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 4.559 -3.753 6.849 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 -0.527 -3.251 -4.116 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 6.272 -1.949 1.113 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 -10.731 1.067 -9.180 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 6.564 -13.523 7.684 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 9.763 -11.861 10.533 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 1.698 8.792 -0.746 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 7.294 -4.555 -4.909 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 -1.390 -16.108 -8.879 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 -19.479 -6.267 -10.541 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 1.348 -3.897 3.089 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 -5.498 13.732 1.478 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 -6.254 -8.052 -10.621 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 5.252 -0.890 5.526 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 -0.181 -12.137 14.331 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 23.136 -12.977 5.288 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 -1.787 0.029 -3.082 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 1.956 -13.245 -14.050 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 -3.593 5.328 9.941 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 1.816 -2.685 -1.313 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 -19.005 5.445 -16.870 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 19.989 6.544 16.802 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 -0.099 4.146 5.192 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 1.066 6.554 -15.531 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 9.123 -9.439 12.828 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 3.608 -1.161 -2.461 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 6.742 0.044 -10.038 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 -0.880 -8.819 -2.288 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 -0.235 3.197 -8.623 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 -4.881 1.899 -3.708 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 -4.804 4.920 -1.972 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 2.590 -3.686 0.185 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 25.833 5.082 38.536 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 8.422 -2.185 12.955 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 1.858 2.811 3.075 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 0.031 -25.448 -0.509 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 6.011 32.887 11.381 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 -0.928 -7.855 -0.963 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 17.494 -10.055 2.098 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 -0.980 13.030 20.346 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 5.202 1.680 -4.506 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 -26.771 -8.520 36.136 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 -11.125 7.242 -14.697 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 -3.509 5.838 4.751 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 -14.054 -10.272 -9.817 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 -9.463 0.335 -0.609 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 -2.929 0.629 9.236 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 10.615 7.353 13.227 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 -14.471 0.879 14.533 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 0.014 -7.685 5.697 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 -3.572 -2.763 7.154 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 2.289 -2.772 1.374 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 -6.583 2.463 4.045 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 -0.391 -1.993 18.373 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 -17.857 10.819 -6.678 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 5.775 -0.832 0.327 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 0.346 15.283 -4.993 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 18.290 10.536 -0.271 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 2.272 -1.474 -9.928 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 -4.322 -34.396 7.295 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 4.628 10.209 -20.267 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 -1.885 -0.568 0.735 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 -22.389 2.934 -7.869 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 0.618 -5.745 2.242 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 -6.092 0.187 1.805 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 -16.621 2.277 -6.101 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 13.850 -5.397 18.055 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 -4.696 -5.935 0.382 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 -22.697 -2.839 1.728 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 14.287 10.370 -2.094 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 -1.938 3.327 -2.341 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 -3.850 10.287 -1.960 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 -4.341 -13.627 -5.281 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 -5.193 -2.183 4.158 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 -18.860 1.165 4.133 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 4.521 -9.637 5.077 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 4.283 0.524 5.611 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 5.894 -0.364 6.060 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 4.243 -1.605 4.509 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 -0.236 4.664 -2.722 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 -6.125 -4.201 -4.785 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 -2.398 -1.577 -2.383 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 0.663 3.888 -6.346 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 -7.560 -18.506 -5.060 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 -6.147 9.656 11.589 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 -3.797 -5.018 1.305 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 7.241 -11.834 -22.451 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 -22.667 -23.062 11.926 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 1.117 1.902 0.181 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 -6.639 -10.754 -1.731 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 -7.486 -13.668 -3.479 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 2.585 -1.353 1.379 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 -6.705 -14.052 -1.298 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 14.742 -13.435 -9.293 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 3.463 0.368 2.473 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 -1.803 0.428 2.168 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 -7.320 17.180 9.454 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 -0.093 -1.675 0.247 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 -22.680 -1.000 30.742 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 -1.015 -14.732 -17.027 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 0.337 -1.482 -2.936 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 -12.544 -19.769 12.889 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 24.014 13.154 -3.794 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 0.631 -4.470 3.447 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 -9.402 7.867 37.207 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 15.928 -24.965 3.942 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 2.882 2.516 -5.901 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 -4.259 6.430 10.940 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 -0.220 22.346 -21.104 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 9.871 4.346 4.242 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 -19.437 -18.968 31.646 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 -18.493 -10.192 0.881 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 1.586 -1.709 1.256 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 16.800 -4.380 -0.503 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 1.482 -2.407 -11.813 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 -2.719 -0.876 1.777 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 9.780 -1.327 3.825 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 -5.995 2.887 9.432 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 6.625 -5.829 1.949 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 -15.711 -11.922 -1.468 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 6.098 47.962 -7.142 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 1.923 5.851 -4.354 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 5.919 -11.975 -9.586 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 11.584 8.492 8.827 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 -0.040 -2.260 3.575 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 10.960 -9.802 -6.874 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 -5.162 -25.798 31.360 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 -0.318 -3.965 -2.856 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 4.997 3.295 0.821 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 -9.361 26.810 18.272 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 -1.426 -3.038 -6.704 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 21.745 13.782 -24.485 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 6.960 -20.870 1.098 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 -1.573 -2.603 -1.332 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 12.644 -23.967 24.644 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 10.511 8.131 -10.931 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 2.955 -1.140 -0.103 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 -3.218 -6.814 6.328 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 -14.124 -5.607 -11.861 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 -2.293 -2.922 1.419 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 1.100 3.505 10.952 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 -2.627 -21.774 -17.670 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 2.278 -0.126 -3.316 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 -8.970 -10.085 4.378 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 -23.167 12.086 -4.078 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 -0.955 1.077 -7.356 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 -3.717 0.575 -8.586 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 0.498 0.329 -6.950 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 2.948 -4.167 3.165 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 19.705 2.294 -27.106 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 -7.942 -25.078 -5.849 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 0.784 2.140 3.809 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 3.059 5.637 5.381 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 -5.586 1.934 7.137 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 5.855 5.760 5.109 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 -11.338 -7.952 20.701 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 -8.589 21.712 -5.526 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 -3.113 -8.534 -5.213 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 -3.188 2.023 -1.478 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 -2.835 -12.499 -10.878 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 1.153 1.148 -1.993 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 -0.145 0.024 -13.581 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 -2.310 -15.535 -30.496 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 4.245 5.311 -0.215 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 3.773 11.200 -8.595 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 3.932 13.794 -12.280 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 -1.539 4.124 -1.098 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 -7.168 5.618 -4.014 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 11.150 2.222 4.000 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 0.220 1.344 -0.155 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 14.120 0.896 -4.885 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 19.028 -5.755 -21.691 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 0.925 -4.267 -3.610 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 11.327 8.917 3.077 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 -13.222 3.061 -7.415 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 -3.716 -10.632 -4.090 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 3.565 5.969 -9.999 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 -2.102 -10.806 4.350 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 -2.582 6.643 -5.249 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 -20.098 6.240 -7.118 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 20.334 13.678 0.224 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 -0.548 8.634 -5.897 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 5.833 1.457 17.045 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 26.196 2.880 23.613 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 1.780 -2.300 3.475 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 -0.226 5.869 7.999 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 26.912 0.037 41.749 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 0.808 3.478 -5.180 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 -16.493 -1.393 -7.108 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 13.848 6.468 -4.185 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 -1.801 8.658 -3.207 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 19.727 -17.761 17.162 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 1.752 -9.465 6.689 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 -0.073 3.849 0.290 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 -2.787 27.671 -5.195 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 4.124 -25.758 8.166 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 0.902 3.580 -1.016 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 -11.775 24.225 -9.348 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 -18.691 -10.485 -9.981 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 -5.056 0.784 2.619 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 16.363 -1.788 -8.606 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 -13.270 0.865 6.449 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 1.818 2.509 4.329 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 -0.367 9.677 9.261 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 -0.148 -8.555 -6.494 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 -2.918 -5.126 -5.894 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 -8.906 5.176 17.531 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 7.083 -9.358 -5.512 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 1.406 5.753 4.827 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 10.688 7.478 24.904 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 -11.352 -3.953 -7.200 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 1.080 1.628 0.253 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 3.293 7.060 -2.738 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 6.392 11.357 -3.391 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 0.835 0.262 -2.287 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 8.350 13.335 15.770 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 1.108 -9.996 3.181 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 0.602 6.601 -5.003 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 -26.486 10.842 2.575 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 5.788 8.593 7.982 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 0.837 -0.617 1.594 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 -17.465 43.420 7.323 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 6.643 12.600 15.109 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 -0.831 1.034 -3.767 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 -26.977 -12.868 -0.962 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 3.392 -31.337 -29.966 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 2.607 4.068 -1.210 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 -2.855 -11.136 25.313 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 1.767 -2.842 -4.999 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 3.920 0.818 1.387 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 19.568 25.053 21.260 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 5.367 -1.392 2.013 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 0.721 -2.156 0.504 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 -0.089 -6.520 -15.718 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 -7.838 20.420 14.149 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 5.202 0.457 -5.528 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 -20.106 8.526 -12.672 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 -2.268 14.816 -9.050 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 0.143 -2.842 -6.081 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 2.584 -6.204 -4.881 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 -6.936 -2.010 -1.819 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 0.526 1.640 0.438 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 9.874 -10.111 9.398 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 -7.909 -1.081 -18.389 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 1.903 -1.566 8.838 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 4.513 -1.225 6.835 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 9.483 -4.444 0.186 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 -0.074 3.278 2.296 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 6.994 3.557 0.896 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 -7.771 -19.488 4.302 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 -1.629 3.635 4.516 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 -1.428 4.524 16.397 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 8.731 3.704 5.467 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 2.675 -0.932 -0.521 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 -12.754 -6.744 -18.022 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 12.667 -5.561 3.710 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 -3.147 -9.248 3.557 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 -9.443 -8.946 2.442 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 14.860 -27.559 -4.179 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 1.427 -0.791 -0.868 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 -1.068 -6.002 -3.669 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 5.216 5.582 2.320 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 -5.418 2.532 2.005 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 2.562 7.021 -10.376 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 -6.281 11.680 3.814 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 4.454 -1.311 -9.917 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 38.872 27.509 -14.919 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 -2.647 -10.280 -8.729 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 3.959 -0.903 -5.866 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 -0.442 0.267 8.079 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 13.589 19.730 -24.756 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 -5.157 0.245 -8.110 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 -3.064 -20.386 -24.609 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 12.030 -14.428 20.963 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 1.768 -8.207 4.527 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 8.931 -18.840 11.024 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 -6.434 -10.674 -3.114 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 -4.700 -1.253 -2.117 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 -12.276 -4.699 -3.766 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 9.510 2.069 0.922 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 -6.710 0.348 -3.766 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 -7.810 0.459 -9.978 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 1.021 0.934 -2.864 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 -7.442 1.327 -1.084 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 -1.517 2.277 -35.308 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 -7.595 34.951 10.090 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 6.322 2.456 0.190 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 6.959 0.560 2.921 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 2.014 15.981 -21.226 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 0.387 -10.046 -7.814 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 6.700 9.355 4.403 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 -0.486 -3.432 -6.371 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 -3.739 -4.085 5.550 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 -24.583 -7.998 -2.229 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 3.527 -3.987 5.833 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 2.803 -5.063 2.493 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 4.140 -11.305 3.207 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 14.362 -2.407 0.471 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 1.261 -2.017 2.429 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 -4.138 -1.909 0.602 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 16.320 9.488 -2.326 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 -3.716 -0.054 10.842 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 24.885 18.625 -15.712 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 -23.052 -20.327 -14.452 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 4.953 -3.101 -2.034 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 1.158 -0.007 -5.358 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 -0.465 -8.651 -4.805 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 2.436 -0.235 1.378 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 -0.017 6.761 -6.675 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 2.196 -10.472 4.513 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 0.264 0.895 -0.211 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 -0.407 -7.150 -5.384 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 -5.976 -7.685 -1.884 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 -0.725 -0.070 -4.443 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 -11.947 -7.596 -10.999 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 5.917 -0.108 -4.650 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 6.521 1.626 -4.739 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 7.054 -7.889 1.996 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 -3.416 -8.129 5.123 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 4.380 1.725 -7.680 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 24.142 1.066 -9.765 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 -1.621 -15.480 -3.296 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 1.457 -0.539 -0.952 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 -1.080 -7.600 -10.258 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 0.039 -8.073 -5.821 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 0.362 -2.019 -2.206 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 -9.367 -16.851 11.626 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 17.699 1.519 3.238 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 1.464 3.198 -7.299 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 8.334 -3.669 -8.466 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 -1.632 5.157 -0.548 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 -3.505 -2.004 1.311 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 -11.918 -2.254 7.013 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 21.555 -2.481 -11.251 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 -0.104 3.082 2.086 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 -3.603 -17.817 -11.669 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 -1.659 19.513 -7.540 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 0.673 -1.169 2.192 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 -12.454 1.894 -1.716 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 -6.897 1.296 -17.915 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 1.057 6.894 -3.383 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 16.375 5.649 -10.561 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 -10.365 6.740 1.173 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 3.523 2.349 -2.456 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 33.633 3.152 11.161 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 8.067 -25.972 -0.765 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 0.608 -1.334 1.092 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 -5.686 -11.025 5.234 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 -0.185 -4.771 3.641 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 2.647 0.441 -2.583 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 27.752 14.689 -7.733 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 12.500 3.505 -2.313 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 -0.180 3.053 -1.414 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 -3.397 3.550 -1.648 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 -14.623 2.171 -3.771 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 -5.998 3.862 -3.251 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 -6.223 -5.158 -10.282 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 -17.295 5.414 6.686 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 0.625 0.339 5.055 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 27.400 12.708 11.469 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 -4.670 -4.307 1.774 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 -3.664 -3.391 0.195 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 -5.051 8.412 -9.474 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 -3.251 -6.814 2.355 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 2.489 2.675 -1.084 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 -3.954 0.935 17.317 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 22.739 15.833 -10.917 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 -1.484 2.650 3.159 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 1.823 -0.596 1.158 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 -1.332 -7.563 4.295 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 2.986 -2.750 -8.675 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 18.134 -19.836 16.172 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 24.231 -5.408 -27.047 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 1.172 2.527 -0.155 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 -19.562 -4.728 3.361 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 20.729 3.729 4.030 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 -3.215 -1.643 0.951 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 -10.052 12.928 -13.978 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 -2.683 -11.833 13.414 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 -0.769 -0.833 -3.524 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 -1.757 -3.881 2.206 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 5.088 1.350 -1.750 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 1.743 -0.155 4.731 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 -2.969 -6.442 0.711 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 4.701 -4.562 4.879 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 -4.932 -0.470 -0.192 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 6.337 5.258 -31.331 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 -0.671 -7.215 -20.550 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 -2.853 -7.387 -1.621 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 -20.093 -16.999 -12.798 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 13.986 19.211 -4.471 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 4.778 3.814 -2.756 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 -10.610 -22.655 -11.701 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 -0.509 10.281 9.913 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 5.728 -3.141 -5.846 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 -0.036 -17.473 -7.732 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 30.613 0.375 -19.061 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 -5.194 6.347 -2.587 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 -2.893 -7.948 0.857 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 -4.237 16.040 2.836 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 1.783 0.048 -5.634 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 -23.343 7.415 2.922 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 13.727 24.811 -15.125 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 3.097 -4.652 5.312 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 -16.748 0.069 -26.456 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 13.413 -12.493 43.480 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 2.058 5.604 0.656 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 -13.557 -10.885 -23.270 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 3.930 -11.535 21.049 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 4.615 -0.645 -4.093 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 4.745 1.605 -2.173 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 9.278 -25.844 -1.420 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 4.203 -3.132 3.684 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 18.341 -5.463 3.081 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 1.737 -11.730 -1.638 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 1.039 3.269 0.359 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 -7.004 -11.290 0.791 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 -0.326 4.829 -2.128 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 2.432 3.990 0.426 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 -8.596 15.777 9.431 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 -9.857 2.606 -21.461 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 -0.476 5.490 -12.301 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 -6.935 0.108 8.347 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 -5.563 -4.073 -5.318 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 -4.570 4.938 4.063 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 -0.066 -3.525 -9.534 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 14.610 -2.295 10.687 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 2.240 -2.183 8.699 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 -0.491 1.779 12.152 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 -9.126 -15.784 1.223 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 -3.513 5.571 -6.707 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 16.557 10.367 -9.405 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 8.503 3.242 -13.324 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 -1.188 10.336 2.231 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 14.025 8.799 13.827 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 -5.372 12.312 5.497 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 -2.389 -3.407 6.503 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 10.057 0.778 -0.953 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 -7.985 -3.561 -7.180 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 8.815 -4.297 2.328 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 22.162 -9.091 -8.514 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 -0.832 -26.972 10.742 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 0.702 0.410 11.568 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 6.096 9.528 6.904 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 25.547 -8.874 8.204 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 2.160 1.702 5.030 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 -3.113 14.483 -6.482 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 1.158 24.177 9.915 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 0.392 -0.878 -0.348 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 2.858 2.308 -16.980 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 -0.442 0.237 -4.602 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 0.148 -3.776 1.182 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 -4.234 19.738 3.479 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 0.708 12.529 -6.660 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 2.825 -2.659 2.572 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 2.705 -7.813 7.851 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 -8.110 -7.006 0.582 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 1.112 0.396 2.509 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 13.606 21.795 3.356 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 1.161 -9.404 -1.619 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 -1.154 5.148 3.280 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 6.725 18.826 -8.714 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 -12.361 -0.180 7.485 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 -2.515 -4.740 -2.960 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 19.678 4.105 -5.216 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 0.690 -24.684 -18.401 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 -5.244 5.321 1.770 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 17.604 5.705 5.187 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 -3.908 -14.707 16.046 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 9.459 1.726 0.026 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 15.360 1.820 2.238 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 13.296 -1.194 -5.315 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 0.009 -4.524 -3.755 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 -6.677 -1.699 -23.199 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 -4.659 12.903 5.922 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 3.042 -5.060 -0.385 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 -8.385 -1.981 7.476 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 18.782 1.699 -6.760 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 0.705 7.661 -2.264 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 -11.348 -15.115 3.003 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 27.789 29.403 -10.743 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 1.538 -3.307 -3.557 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 1.531 34.279 4.129 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 5.327 5.944 -5.022 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 2.011 2.090 3.183 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 1.505 2.661 11.447 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 2.539 1.437 -6.134 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 7.843 -7.115 0.199 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 6.718 -13.725 -14.274 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 -5.577 -2.270 15.390 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 -0.932 0.714 3.782 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 8.219 7.238 7.318 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 4.145 -10.189 1.830 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 -4.076 -4.093 -1.873 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 -20.851 0.650 12.445 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 1.169 -5.749 -5.522 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 8.870 1.418 -2.190 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 -2.722 0.461 -5.915 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 18.700 0.952 13.307 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 4.055 -2.267 -1.142 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 15.817 3.004 -13.556 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 -17.477 22.238 -0.391 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 -2.142 -5.552 -6.082 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 -17.906 -5.516 -29.174 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 -3.917 -2.557 2.753 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 5.394 0.393 2.536 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 17.033 5.545 4.728 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 -4.345 -31.909 -4.064 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 5.122 4.029 -3.304 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 -7.730 -7.238 11.020 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 4.275 11.304 -14.280 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 -2.781 -0.365 -0.062 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 -3.459 -2.781 -0.993 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 6.690 0.252 7.604 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 -3.070 3.756 7.104 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 -13.588 -3.466 -6.373 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 -4.994 5.858 18.545 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 -3.662 3.141 4.074 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 1.433 -2.017 2.578 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 5.463 -1.700 -3.305 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 -3.855 3.549 -1.544 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 0.888 0.276 13.676 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 -13.018 11.959 -34.220 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 3.082 0.850 -0.723 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 -2.852 -26.614 -32.572 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 -8.976 -11.344 -0.355 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 2.101 1.782 0.091 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 20.454 -7.044 -1.960 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 -2.242 4.060 -16.958 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 2.473 -4.426 -2.603 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 14.960 -15.764 -13.326 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 -3.938 -11.390 19.042 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 -2.712 -0.195 6.991 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 18.858 -16.983 1.354 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 7.447 -4.163 4.835 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 -1.975 1.082 0.361 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 17.109 -0.879 -6.089 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 -17.735 -15.623 20.202 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 6.069 -4.460 3.153 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 6.185 -6.568 -20.146 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 -7.294 8.410 -9.688 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 -6.853 -4.096 3.725 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 7.966 -6.269 10.263 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 -16.603 -1.518 2.650 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 -3.123 -0.527 -4.762 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 1.964 -2.235 -9.068 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 0.512 -1.843 -2.875 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 -8.762 -0.712 -0.884 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 -11.437 -8.175 -8.452 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 8.393 28.347 24.418 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 -2.756 1.030 -0.078 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 -1.204 -1.640 -14.911 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 -6.400 16.220 13.979 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 0.284 2.072 -0.541 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 -6.667 -1.610 -7.583 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 14.653 -1.386 6.169 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 -4.710 -4.072 2.029 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 -13.647 -2.187 -0.634 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 2.273 -2.885 2.173 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 0.117 -1.866 -5.268 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 2.304 -6.327 3.791 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 -6.532 -11.910 0.236 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 5.475 3.696 2.109 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 6.468 -4.589 1.654 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 13.006 4.225 8.966 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 1.297 -2.567 -3.241 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 4.762 10.277 8.356 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 -0.057 -9.191 -3.668 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 6.775 7.463 -4.718 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 8.723 -0.252 -6.832 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 6.318 10.029 0.103 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 4.730 -4.398 -7.255 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 -6.264 7.337 -7.441 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 -39.105 6.800 -13.561 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 -1.705 -3.504 2.123 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 12.822 -30.635 -4.176 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 -13.827 10.515 -0.947 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 1.570 3.808 4.021 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 7.097 3.889 -3.594 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 -8.348 -0.228 -1.962 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 0.516 2.123 4.275 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 0.005 0.417 3.759 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 13.523 -1.592 8.887 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 1.648 -2.766 -3.586 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 -7.286 10.713 7.128 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 8.755 -12.311 -0.865 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 4.369 1.329 2.812 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 15.012 -4.789 -16.358 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 4.348 15.232 21.283 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 5.207 0.531 1.096 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 8.394 -21.431 -11.593 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 -27.262 17.895 12.865 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 -1.537 2.361 -4.058 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 -29.787 26.808 6.208 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 -19.625 5.627 -14.790 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 -1.411 8.419 -8.116 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 -10.517 -2.980 -5.909 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 -5.005 17.047 -1.752 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 3.910 4.872 -1.690 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 -6.537 12.871 -27.219 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 -9.421 0.474 18.743 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 0.110 -0.969 2.129 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 4.621 -3.524 3.135 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 1.975 -0.968 -0.985 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 -1.642 -7.671 5.797 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 0.682 -21.817 -5.000 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 6.444 2.642 -7.452 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 -1.971 -0.983 1.498 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 4.482 -2.559 2.500 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 -20.376 7.226 -8.233 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 9.140 2.580 4.879 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 3.795 -32.874 0.809 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 1.321 9.248 19.810 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 7.753 -1.922 7.365 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 -6.943 -1.780 7.534 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 3.691 -14.327 -7.971 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 9.864 -3.921 5.284 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 -20.873 7.263 9.166 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 0.368 11.246 3.926 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 -0.009 -0.086 3.055 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 2.483 -30.415 12.539 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 0.057 -1.826 3.366 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 0.219 -2.920 -8.038 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 25.278 -7.311 -0.868 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 10.465 -4.113 -8.506 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 -3.243 -1.076 -4.415 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 -10.341 -11.241 -2.992 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 5.227 -2.410 -4.721 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 3.394 -5.224 -3.959 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 2.412 -16.520 -12.368 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 19.137 9.680 -4.174 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 2.893 1.770 5.793 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 5.536 18.123 10.183 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 11.857 -10.617 -24.159 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 3.431 -1.700 2.938 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 -1.595 0.066 -33.524 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 7.634 -1.612 3.552 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 -4.336 -2.076 1.330 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 8.375 -3.608 -6.908 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 -0.384 -4.052 -12.474 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 4.313 -7.244 -4.128 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 -10.532 21.757 3.858 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 12.192 6.778 -21.766 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 7.953 0.464 0.370 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 -27.398 -1.887 21.902 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 10.928 1.644 -1.617 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 0.814 -0.642 2.058 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 1.785 14.136 -29.141 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 -2.719 23.272 -4.357 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 -7.813 -1.515 -3.769 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 -17.045 5.596 -2.684 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 -7.913 -11.414 -1.162 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 -0.194 3.385 4.838 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 3.660 7.879 -19.674 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 3.985 1.919 -1.797 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 -3.161 0.754 8.326 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 8.356 1.611 1.714 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 0.315 -12.681 11.441 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 -0.852 -0.910 -1.590 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 20.626 14.258 12.236 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 12.423 -24.622 -5.856 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 -4.932 0.669 -4.617 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 -4.990 -2.423 9.153 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 4.608 6.187 -2.161 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 -5.479 -2.651 -4.198 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 -19.938 -18.806 -28.585 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 24.179 3.924 4.312 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 2.994 4.642 -5.956 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 -4.117 2.862 -21.979 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 2.596 -0.403 -6.745 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 -4.240 2.640 0.440 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 -2.009 -25.546 -14.308 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 -5.841 -7.362 19.168 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 5.061 0.911 -0.771 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 5.655 0.380 -1.159 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 6.125 -0.218 -1.601 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 1.368 1.285 0.986 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 4.558 10.148 -6.246 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 29.776 19.040 4.356 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 0.555 -12.146 7.486 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 14.068 -23.678 2.345 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 2.859 17.693 -8.790 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 -1.165 2.786 7.924 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 13.764 1.773 8.820 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 15.013 8.130 6.646 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 3.883 1.815 6.453 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 -13.366 -5.235 -13.703 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 -8.895 -3.585 3.871 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 7.263 -1.036 -0.711 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 40.869 -2.273 4.307 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 -3.472 3.688 8.320 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 3.301 1.326 -0.128 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 9.894 2.144 -14.184 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 -7.956 13.037 -0.216 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 4.185 2.745 1.468 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 -14.463 5.811 -5.207 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 17.011 -11.068 6.643 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 -7.155 4.098 -5.117 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 -13.065 -13.639 -11.836 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 2.314 12.167 -21.729 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 -0.583 -1.500 0.593 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 -15.716 -10.949 12.158 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 3.299 1.002 5.803 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 1.197 0.716 -1.927 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 -5.114 22.657 -14.297 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 -4.977 -7.458 -10.714 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 -3.298 -0.911 0.030 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 -5.784 2.726 10.200 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 -3.137 -0.240 -9.755 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 -10.513 0.526 -1.676 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 -23.197 14.254 -11.458 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 0.442 3.675 -30.202 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 -1.285 -8.570 2.086 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 -3.312 10.672 -1.740 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 -1.090 6.868 3.401 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 0.019 0.148 -2.058 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 7.728 4.649 -14.193 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 -2.408 7.131 5.063 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 0.416 -3.026 1.225 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 9.642 -4.261 8.546 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 -4.149 -1.628 -4.890 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 6.256 0.863 3.249 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 -1.280 19.349 5.373 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 13.453 -11.377 8.375 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 -2.650 0.642 4.759 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 18.829 -6.799 15.908 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 -25.530 0.694 2.278 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 -6.240 -5.405 2.584 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 -5.147 -4.174 -1.018 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 2.716 -5.491 3.716 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 -2.019 0.860 -3.050 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 0.333 -12.247 -4.004 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 1.226 2.174 9.399 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 0.964 -8.572 -3.376 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 -0.437 -10.272 0.611 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 -2.922 7.236 7.000 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 0.469 -3.411 1.707 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 5.523 7.782 20.492 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 2.369 11.934 -13.763 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 -2.160 -0.189 -3.675 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 -6.091 7.682 10.945 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 1.820 -18.624 -5.806 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 -0.176 7.893 0.294 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 -0.388 17.468 5.613 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 -2.622 -6.277 -2.904 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 -11.095 -2.864 1.559 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 -3.589 -7.725 1.388 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 -7.138 -7.570 -0.510 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 3.949 5.946 6.221 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 13.984 8.361 3.078 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 -6.256 4.296 -34.758 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 4.997 -0.319 5.734 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 6.281 9.041 0.117 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 17.151 23.540 1.087 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 -0.919 -2.695 2.608 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 -5.444 -17.966 -5.804 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 8.730 9.287 12.617 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 -3.088 -2.415 -0.099 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 1.621 -11.803 -13.111 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 -0.600 10.273 -6.521 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 4.435 2.785 1.995 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 -10.742 -5.154 10.446 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 1.988 17.528 -0.202 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 -3.670 -7.548 2.633 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 -8.648 -7.414 17.480 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 -8.121 -1.297 4.588 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 1.523 0.386 3.206 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 -6.488 14.130 0.901 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 -1.296 25.729 -10.141 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 -4.010 2.186 -7.122 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 8.866 6.738 1.015 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 8.499 6.781 0.784 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 0.263 0.556 -2.965 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 -12.580 -12.039 3.994 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 -17.950 12.554 -8.427 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 -0.216 0.337 -0.324 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 8.407 -28.762 8.861 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 -30.534 -7.519 -1.497 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 1.751 2.738 -6.628 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 -0.014 -3.575 11.956 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 -14.363 18.480 -7.193 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 4.749 1.744 4.735 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 -0.162 -12.955 -26.044 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 21.449 13.288 -10.048 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 -5.393 -4.407 -1.895 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 -5.136 -9.314 -12.419 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 9.866 -24.952 -32.744 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 5.758 -1.356 -0.985 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 26.766 11.128 -9.923 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 11.815 -3.335 -0.904 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 -5.258 -5.821 -1.578 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 3.680 -1.876 2.532 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 16.668 -2.407 -11.000 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 8.392 0.939 0.031 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 11.950 -2.073 12.494 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 3.697 4.296 -14.831 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 -3.931 -3.347 -1.733 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 4.449 -16.721 -8.113 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 -4.295 -5.671 12.393 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 5.831 -2.509 6.121 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 2.273 -0.727 3.206 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 13.633 11.758 4.396 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 -3.203 -0.518 4.374 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 -2.885 -12.299 -5.512 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 -2.682 15.517 20.460 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 1.156 8.559 -2.810 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 14.446 13.885 -31.076 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 -8.612 8.498 5.107 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 -0.996 1.570 -0.341 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 -17.469 16.349 20.418 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 7.243 -0.964 12.420 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 -3.461 1.645 -2.169 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 3.816 4.368 -8.330 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 0.872 -1.219 -7.416 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 -2.748 -3.179 -4.376 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 -7.943 1.190 -23.251 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 -14.218 -9.712 24.242 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 -3.707 -1.650 4.535 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 0.340 -8.661 -5.930 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 1.284 -10.764 -5.248 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 -4.944 4.703 -3.607 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 -1.692 -4.257 13.601 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 7.627 9.645 5.202 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 -2.390 2.078 9.431 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 -1.786 2.084 7.274 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 -3.238 -1.396 11.653 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 -1.316 5.156 -0.317 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 5.701 3.636 -0.612 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 -5.838 5.388 -5.865 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 4.118 6.511 -4.974 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 14.191 2.037 -14.005 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 18.249 1.245 -15.477 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 -4.276 3.914 5.532 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 8.779 6.039 2.923 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 23.465 7.537 -6.575 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 -3.588 -4.794 1.270 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 13.745 -5.280 7.795 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 -3.930 -3.237 -4.423 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 -0.979 5.945 -0.953 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 1.273 -9.277 6.175 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 -4.140 18.462 -6.990 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 -3.626 3.633 -3.072 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 7.038 0.286 -5.963 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 -21.989 -5.073 6.348 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 -3.563 -1.342 9.206 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 4.081 5.700 12.926 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 13.197 -5.436 8.909 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 4.974 -7.611 3.942 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 -13.878 -11.238 19.765 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 -6.780 -17.432 8.987 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 9.218 0.785 -0.905 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 4.114 -7.229 13.963 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 9.113 15.715 -24.296 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 -2.460 2.490 -1.728 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 -6.826 -4.723 -8.926 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 7.727 10.951 10.440 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 -5.296 4.584 -9.511 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 5.556 2.224 -11.687 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 -16.767 -3.774 -16.365 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 2.735 0.701 -0.942 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 -7.677 7.470 -11.386 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 8.969 -2.876 5.468 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 0.741 1.781 1.566 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 -6.648 7.152 0.489 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 0.301 5.201 2.819 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 -3.992 -2.411 -10.144 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 12.840 -14.825 4.689 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 -23.279 -1.723 10.787 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 3.037 -2.349 -5.630 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 15.628 9.380 -1.624 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 -3.817 -1.599 7.050 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 0.481 -6.060 0.571 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 12.037 6.525 -8.330 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 -16.464 -11.737 4.486 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 0.118 7.775 3.682 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 -18.431 -1.803 5.860 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 25.859 6.450 17.334 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 -1.806 -0.111 0.491 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 6.306 -5.797 -9.165 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 9.523 -17.137 -8.491 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 1.307 -0.470 -7.730 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 7.908 -4.188 -31.506 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 -32.033 16.768 14.034 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 6.667 0.034 -1.219 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 6.488 0.402 0.927 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 7.055 -0.130 2.764 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 4.614 4.559 -1.574 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 10.515 -14.018 16.117 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 1.740 -2.921 -17.313 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 2.118 0.644 -5.633 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 10.984 17.766 28.747 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 0.169 -1.253 28.313 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 1.185 3.436 -0.322 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 9.241 -23.013 25.851 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 2.368 -9.809 7.821 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 -3.546 -5.768 2.648 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 -1.782 -3.632 19.322 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 -4.959 3.793 5.364 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 -4.522 -6.227 1.048 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 6.294 -3.023 3.019 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 8.996 -1.677 7.976 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 -5.602 12.667 -0.404 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 5.386 14.900 -0.706 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 30.708 13.295 -4.104 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 -0.567 2.630 -3.003 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 8.239 16.413 7.112 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 -18.029 21.498 -8.260 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 3.304 0.715 -1.875 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 7.902 2.129 -3.989 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 1.046 10.141 6.597 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 1.317 1.425 1.529 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 -2.159 8.601 12.997 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 2.440 -1.995 11.460 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 13.415 -1.660 2.492 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 20.003 -7.127 14.726 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 -6.075 -2.270 -11.325 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 -4.213 4.155 -5.795 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 -18.209 14.230 -17.167 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 -18.289 -15.067 7.477 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 -6.971 -0.547 1.193 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 8.927 -15.453 32.600 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 -14.348 -2.980 -10.804 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 -3.432 -1.522 -3.060 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 -23.010 14.992 1.233 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 7.460 14.096 16.733 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 0.635 6.674 1.789 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 -10.984 -0.177 14.460 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 -0.331 -6.848 -17.675 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 4.993 -11.066 0.152 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 6.091 17.008 -19.402 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 8.350 -10.323 8.595 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 -1.407 -0.969 0.645 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 23.122 7.238 12.869 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 12.154 -3.158 -17.669 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 -3.135 -3.764 2.631 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 -10.983 -16.401 2.447 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 5.567 3.857 -2.399 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 -0.119 2.742 -6.355 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 -5.196 12.308 -12.951 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 4.015 13.134 -0.773 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 2.169 0.579 -2.393 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 -18.966 -9.426 -4.301 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 3.362 11.542 17.629 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 -0.877 -9.420 0.639 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 -2.592 -3.228 6.983 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 3.798 -11.305 -15.734 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 5.330 -0.767 -13.372 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 -28.334 4.004 0.361 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 10.227 -6.830 -35.058 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 1.793 -3.252 4.803 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 15.605 -21.442 -5.313 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 -25.545 -12.927 23.629 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 -4.950 1.106 -0.557 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 -2.389 -2.480 0.243 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 -10.484 8.029 -1.722 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 -2.081 1.790 -3.314 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 -5.142 -3.573 -12.188 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 0.717 -1.243 4.398 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 -0.877 6.489 -2.263 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 -6.483 -6.780 3.015 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 -5.193 -15.957 12.132 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 -0.565 1.570 -1.628 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 21.421 17.067 -4.206 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 -22.187 -16.227 0.645 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 -2.083 -10.775 3.509 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 -30.446 24.068 12.755 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 7.413 -3.418 13.865 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 -0.936 2.657 0.185 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 -7.112 -6.226 5.016 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 15.241 -25.424 -5.969 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 1.827 4.410 -1.009 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 -20.908 -7.691 -8.150 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 -17.517 -34.383 -0.837 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 0.884 1.962 2.266 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 11.878 18.013 -11.403 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 1.207 15.850 5.108 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 3.993 2.720 0.535 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 8.882 -7.681 -6.948 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 1.843 8.456 6.217 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 2.539 -0.310 -2.890 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 -1.191 -2.229 -4.796 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 -4.155 11.958 -8.601 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 -3.104 5.560 -0.287 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 22.290 4.871 9.228 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 -30.168 5.136 2.184 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 1.650 4.247 1.931 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 2.795 -6.593 -0.417 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 -4.251 13.775 -6.937 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 4.024 5.277 -1.060 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 -26.304 -4.977 1.182 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 25.559 12.427 -3.671 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 -5.719 -1.280 0.659 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 -5.182 -7.168 -6.209 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 5.397 -6.978 5.293 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 -6.446 -6.289 2.159 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 -17.523 -3.513 3.429 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 2.762 -23.456 8.564 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 4.731 -8.220 2.298 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 -15.135 -2.309 10.212 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 15.128 -17.442 19.266 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 -6.050 -0.262 -3.739 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 -1.552 -16.245 22.031 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 -1.751 -8.168 -6.673 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 3.227 -8.620 6.875 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 -9.243 6.040 -0.419 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 -6.917 -3.978 10.567 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 -3.108 -1.954 -4.066 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 -0.951 -6.796 5.737 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 13.030 -8.996 5.453 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 -5.332 7.993 4.089 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 -0.860 13.131 4.631 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 7.784 -13.681 -0.969 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 2.425 -1.657 3.014 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 -9.031 5.807 -28.495 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 -20.559 3.149 -1.434 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 -3.711 -2.864 -5.923 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 14.634 -1.262 -19.479 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 -14.813 -24.831 -3.510 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 -9.480 6.297 2.155 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 10.099 -4.880 20.380 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 -27.220 -15.425 -4.681 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 3.263 0.085 -2.080 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 -0.794 12.579 2.325 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 -4.618 23.361 27.098 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 6.827 -9.368 1.567 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 13.911 -9.802 0.476 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 6.379 -3.105 1.010 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 -2.408 1.980 9.559 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 -6.331 1.577 6.740 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 1.863 -3.829 4.532 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 6.157 -1.244 -3.506 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 4.674 -17.952 -19.338 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 -21.463 3.461 -7.576 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 -0.687 -0.433 -3.091 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 -6.049 7.686 -7.746 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 9.033 10.406 5.324 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 1.983 -2.298 -6.024 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 8.716 -1.992 -12.274 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 8.130 2.571 -13.374 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 -2.753 9.068 3.286 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 10.007 14.693 -4.131 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 -13.757 13.335 -14.513 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 12.026 2.776 1.921 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 -5.487 -10.224 1.657 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 -35.020 5.058 6.606 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 0.727 1.116 -2.468 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 -0.753 -4.919 4.603 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 19.878 6.752 -11.269 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 0.195 -8.145 2.186 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 2.840 4.896 -14.328 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 -0.266 -9.459 2.935 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 0.070 6.864 -2.281 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 -2.368 18.504 10.855 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 11.431 -6.433 4.368 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 1.929 -5.031 6.651 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 -1.506 -8.968 0.422 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 2.893 -3.329 2.437 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 1.552 -2.905 1.799 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 -12.163 21.535 7.791 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 4.058 15.368 5.261 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 2.317 6.573 -7.873 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 -0.734 2.848 -4.182 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 -4.555 -2.976 -8.390 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 -3.575 -1.212 -3.979 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 -6.786 -2.419 20.006 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 6.376 -1.114 -15.549 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 -7.922 1.677 -0.429 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 4.989 -21.750 41.398 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 -0.295 12.188 3.162 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 -1.265 0.842 -2.092 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 -40.492 3.336 19.325 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 -4.642 6.684 0.904 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 0.054 -1.367 3.178 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 7.736 12.565 6.719 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 -18.173 15.188 -13.403 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 -1.745 -5.825 -1.184 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 -4.523 29.058 10.290 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 9.228 -10.709 -13.256 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 5.676 -0.967 -0.203 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 4.541 9.133 -24.415 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 9.742 -1.531 0.303 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 -3.341 -2.016 -3.298 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 22.290 -5.114 13.891 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 -10.492 4.212 -8.657 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 0.757 2.547 -6.501 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 -11.133 -23.142 -1.413 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 8.522 10.257 -5.586 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 5.338 0.967 1.863 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 4.991 4.403 8.013 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 5.476 -0.704 -6.898 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 1.580 6.326 -5.949 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 0.096 15.254 -3.034 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 6.930 -11.387 -8.606 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 2.277 -0.300 -4.206 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 -4.044 14.954 2.187 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 11.820 11.002 5.594 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 2.960 9.708 -0.344 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 11.127 30.676 3.316 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 -8.920 10.909 -24.834 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 3.245 -9.333 -1.386 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 8.507 -9.988 -3.991 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 1.331 1.417 -12.701 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 4.142 9.624 1.764 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 5.427 -11.677 9.880 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 2.807 24.400 3.986 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 3.067 3.384 -1.673 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 16.444 -1.923 9.545 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 -13.221 1.404 -23.402 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 3.729 1.289 -3.201 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 -10.820 -27.035 22.706 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 -23.825 22.842 12.059 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 6.949 4.332 -0.208 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 14.053 -2.525 -31.270 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 14.904 -0.100 11.660 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 3.062 2.061 4.155 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 -10.290 -2.325 -5.168 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 -11.276 3.068 -5.839 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 -0.196 -0.949 0.595 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 -2.765 -7.826 -0.629 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 -1.522 2.349 9.804 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 -3.772 2.889 5.137 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 0.340 17.834 20.045 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 -5.092 4.753 -6.186 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 -1.033 3.431 0.940 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 10.349 -0.387 5.397 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 2.749 3.234 -4.132 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 -4.998 7.783 3.375 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 -2.968 -0.426 -4.379 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 -16.119 -21.584 -8.358 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 -2.740 -6.938 3.870 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 -3.397 -8.043 12.260 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 2.011 -6.835 -1.015 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 -0.529 -3.677 1.009 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 -8.078 -8.147 -11.291 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 -2.341 11.017 -3.892 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 -0.662 1.730 -3.740 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 -14.798 -12.294 -7.689 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 -19.701 -12.607 -0.139 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 2.698 -6.975 -1.269 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 13.606 -9.761 11.917 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 -15.370 -16.783 -9.722 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 -4.910 0.346 1.899 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 -2.553 -18.424 -24.135 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 -10.751 -0.841 12.075 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 -4.450 6.485 2.298 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 5.896 -1.560 2.110 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 0.596 10.697 4.021 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 2.081 -2.869 0.973 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 -9.778 17.303 -10.365 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 -20.108 3.322 5.573 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 -2.486 -1.949 3.669 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 2.553 -4.527 12.285 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 6.313 -10.323 21.336 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 6.219 -4.037 4.226 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 10.204 4.592 -16.471 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 19.618 12.373 -0.594 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 4.786 -2.717 3.569 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 -4.739 -7.054 14.368 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 -3.116 18.281 -18.126 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 -2.982 -4.717 8.546 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 -5.970 -5.130 3.705 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 -2.220 -4.192 9.687 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 -6.065 1.687 -4.814 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 -4.484 5.069 -21.171 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 2.366 1.687 4.053 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 -1.315 -3.574 -1.444 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 -5.208 -20.474 19.577 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 -5.881 12.390 -11.346 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 -0.143 -1.471 -5.012 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 -4.014 -9.383 3.871 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 42.413 14.261 -15.534 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 -0.021 0.008 -1.259 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 1.097 2.131 -1.234 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 4.129 -7.677 -12.211 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 -3.069 2.472 0.749 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 5.874 -27.767 -5.976 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 -32.234 9.048 -7.732 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 5.113 -11.200 0.752 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 3.856 -2.295 2.584 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 13.456 -3.818 1.687 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 -0.696 -1.183 1.544 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 14.591 16.394 0.141 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 -1.308 -6.736 -2.009 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 -0.137 -1.836 4.675 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 2.729 -12.457 0.616 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 -2.219 -0.133 9.908 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 -0.578 -4.841 -1.537 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 19.541 -18.033 -6.634 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 15.329 21.007 -0.499 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 -1.508 1.067 4.195 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 -26.785 2.598 -6.826 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 -5.524 -9.333 4.005 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 1.236 -8.050 -1.498 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 -2.062 -4.357 -2.176 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 -7.849 21.617 2.779 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 1.660 -2.121 -1.266 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 6.819 1.555 9.259 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 23.188 4.603 0.712 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 0.487 7.306 -0.844 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 -5.512 11.881 17.477 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 11.388 -9.196 4.394 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 4.929 -4.963 -3.935 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 2.358 7.558 -5.586 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 -1.696 -15.657 -16.781 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 1.139 -4.742 -4.826 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 -12.890 2.476 -18.079 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 -3.888 -5.928 -16.508 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 -6.133 -3.053 -0.404 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 -16.007 19.537 -4.550 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 6.782 -7.394 5.727 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 8.154 2.994 1.118 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 -20.966 2.282 0.873 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 -21.890 -4.705 17.560 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 -0.959 -1.583 0.773 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 -9.651 -28.781 -9.314 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 -5.819 -29.273 35.546 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 3.272 2.966 -1.120 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 -17.249 -25.511 17.080 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 1.948 0.185 0.571 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 5.408 1.524 5.521 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 -13.436 -22.176 -11.376 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 8.234 0.181 -0.785 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 -7.321 7.594 2.625 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 -1.351 18.645 7.446 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 -15.650 -14.850 -0.022 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 -10.325 0.172 -0.027 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 -10.821 -3.415 15.629 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 4.715 -1.395 -8.039 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 -0.687 -0.468 1.923 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 -1.100 0.358 2.042 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 7.855 -3.382 3.197 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 2.848 3.909 -1.581 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 -8.101 8.692 4.061 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 -24.377 -23.188 -10.197 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 4.962 -0.401 3.256 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 -2.777 2.635 4.052 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 8.798 -8.197 -18.689 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 2.073 -0.249 -6.662 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 33.084 11.976 -0.748 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 -5.668 -8.892 7.585 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 7.846 5.711 -0.345 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 7.641 12.822 -0.992 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 10.287 25.863 -3.416 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 0.727 -4.186 0.873 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 -5.997 -4.803 5.400 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 0.607 2.860 -1.929 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 -1.751 5.268 -1.387 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 -3.878 -24.364 -19.802 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 21.373 -11.971 28.643 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 1.570 3.220 1.702 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 2.165 -15.591 -12.253 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 -5.351 2.218 17.965 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 -2.487 -2.746 -1.136 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 -7.121 -0.120 -9.081 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 22.554 20.708 15.473 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 -1.638 -0.735 1.534 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 2.610 -6.962 -8.166 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 -2.551 4.492 13.880 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 5.515 -3.400 2.309 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 8.832 4.377 2.590 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 -1.748 -2.118 1.610 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 8.951 -0.986 7.609 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 19.545 -6.881 0.632 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 11.600 -2.338 20.177 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 8.671 -0.188 -2.436 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 4.061 -15.007 -2.959 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 -0.399 0.618 19.128 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 -3.094 2.823 1.806 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 4.966 13.697 3.177 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 -14.850 -3.815 9.078 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 -5.975 -6.298 -2.056 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 -2.602 -21.663 -7.408 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 -6.488 -8.715 13.854 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 -7.449 -3.759 -4.259 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 -3.062 -16.733 -16.591 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 -5.155 -25.135 10.315 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 1.663 2.495 3.733 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 -4.550 22.002 -14.754 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 -11.569 7.031 26.312 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 -2.217 -7.205 5.222 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 -3.486 7.803 18.400 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 -2.010 8.944 27.078 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 -10.448 -1.799 -1.160 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 13.076 -1.926 -4.047 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 -19.008 -8.982 -3.653 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 1.312 2.590 -6.289 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 3.232 -2.771 -16.168 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 16.939 0.259 5.359 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 0.902 -5.231 -0.391 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 -22.073 20.311 11.867 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 -4.800 3.359 -1.880 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 -1.669 3.421 2.031 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 -1.057 -22.892 2.158 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 -17.503 12.259 10.973 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 7.734 -0.949 -1.438 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 11.169 6.094 -0.032 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 -0.612 -2.248 1.399 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 2.845 2.554 -1.304 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 0.462 -13.421 -14.781 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 11.274 14.867 9.720 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 1.301 1.136 3.505 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 -14.551 12.265 -7.621 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 -5.614 -3.378 4.103 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 4.081 3.858 3.669 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 5.719 -1.826 6.009 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 -18.456 5.063 6.640 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 6.123 0.275 -1.603 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 -23.944 -11.464 16.075 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 7.909 24.289 17.128 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 -8.660 6.775 -2.990 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 -3.495 -4.830 10.615 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 -12.925 13.785 -9.171 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 1.913 -5.405 4.231 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 7.147 14.046 11.035 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 -13.696 -8.582 7.276 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 -0.555 -3.626 -3.650 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 6.754 -13.082 12.843 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 -0.690 -0.546 -5.127 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 -0.803 5.613 -3.013 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 -0.143 1.973 -14.575 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 3.536 9.127 10.401 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 -7.523 -3.302 0.673 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 1.471 26.253 -3.988 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 0.038 -10.893 29.062 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 2.202 -0.315 6.306 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 -4.637 -10.968 14.801 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 -5.074 -23.478 5.438 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 -1.676 -3.242 8.640 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 2.134 -5.076 4.577 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 7.241 -7.046 -0.879 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 7.550 -0.600 -10.100 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 9.188 8.476 9.314 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 26.652 -1.857 -23.684 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 0.626 -0.020 -2.671 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 0.029 21.087 1.290 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 -5.317 -3.170 -2.743 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 1.229 2.522 1.201 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 -3.678 8.298 5.354 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 7.003 -4.823 -2.129 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 1.092 6.482 -3.094 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 3.485 8.734 0.376 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 14.753 18.379 -16.163 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 -0.928 -6.839 3.918 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 7.599 5.024 4.955 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 11.174 -13.054 1.824 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 2.870 -5.136 -2.284 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 12.301 -10.318 1.312 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 1.083 -4.142 6.705 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 -1.619 -2.976 -2.973 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 20.728 -15.007 -6.656 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 -32.088 15.148 -0.526 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 5.078 3.561 -8.350 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 5.458 3.065 28.080 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 -24.128 -19.906 -15.945 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 -1.635 -10.233 -3.726 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 -4.149 -5.137 -14.879 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 -8.308 -10.490 -9.176 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 -2.569 1.739 -2.180 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 -28.751 -8.101 -15.453 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 -10.326 0.295 -4.208 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 -1.112 2.517 1.153 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 -41.279 -11.582 -39.686 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 -3.552 2.424 -3.977 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 -3.915 2.444 -4.992 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 3.197 10.700 -26.836 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 -5.971 -12.418 8.979 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 -4.186 -2.426 -6.351 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 12.288 -10.357 -27.735 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 -0.063 -12.038 11.250 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 -0.337 -3.712 -2.959 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 -7.205 -14.045 -13.745 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 -9.238 2.599 1.570 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 0.698 -1.419 4.116 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 2.666 10.530 21.227 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 -2.756 -5.149 11.349 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 -0.383 6.009 4.347 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 -24.430 1.728 13.482 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 -11.543 14.031 -11.308 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 -3.200 -2.677 -4.503 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 5.852 19.750 -4.727 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 -1.998 13.656 -10.126 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 -4.575 -4.988 -0.966 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 -5.447 -5.890 -0.695 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 -12.154 -0.425 7.012 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 -1.570 -6.308 3.724 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 7.116 0.852 16.060 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 15.047 -19.652 9.525 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 1.082 -5.222 1.563 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 5.807 -1.694 -7.553 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 0.610 -3.618 -0.066 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 4.091 1.686 -0.099 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 2.770 0.360 -0.133 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 8.684 -9.473 -0.708 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 -0.710 -15.505 1.875 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 -5.123 -13.939 0.264 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 -2.125 2.818 6.067 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 -3.768 -0.309 -2.121 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 2.344 -5.128 11.059 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 -6.077 15.166 0.848 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 2.986 7.750 -2.961 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 -9.893 -3.555 23.678 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 -4.317 19.829 7.292 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 -5.402 1.354 4.847 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 -19.726 10.119 14.181 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 5.428 6.470 8.611 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 -2.212 -1.980 -1.034 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 2.410 -4.411 3.930 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 6.244 12.874 -1.596 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 -4.260 -3.845 4.909 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 -18.999 -10.629 -11.739 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 3.129 12.955 2.904 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 -3.926 -3.109 4.908 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 7.671 -24.302 19.666 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 -27.158 -12.414 2.285 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 3.475 -2.033 -5.601 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 -18.422 17.676 -13.705 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 17.473 19.778 4.427 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 4.407 0.544 -0.934 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 0.293 -2.434 -4.171 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 9.245 0.592 -3.167 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 -0.159 4.512 0.987 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 7.099 15.879 2.411 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 7.109 -4.510 -4.210 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 -0.192 -2.775 -3.410 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 0.461 -1.789 -4.087 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 -0.417 -3.623 -0.919 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 -5.842 3.590 7.986 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 -1.507 44.083 -6.863 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 4.457 -18.682 -24.822 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 -7.289 0.589 -2.481 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 -20.855 0.684 17.962 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 9.046 -33.552 -23.682 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 3.909 2.232 1.202 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 5.003 -2.709 -6.847 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 5.771 8.499 8.974 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 -6.362 4.218 4.130 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 -16.540 -20.181 11.376 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 25.233 -8.660 -6.440 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 -0.401 -0.244 2.480 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 9.961 18.251 3.241 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 -8.196 -15.064 16.121 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 3.078 2.675 -2.485 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 7.392 0.016 -5.213 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 7.794 -7.657 -4.720 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 -2.793 -2.929 -6.235 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 -28.960 1.093 22.621 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 -18.383 -16.247 24.916 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 5.268 -6.893 -0.485 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 1.649 -0.114 8.192 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 21.816 -13.654 -1.168 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 0.650 0.198 -6.979 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 -16.476 11.001 -1.105 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 3.420 3.382 -8.148 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 7.070 5.029 -2.493 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 3.070 5.105 15.685 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 -0.117 0.481 10.781 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 -0.308 0.278 -0.590 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 -4.066 29.503 -2.510 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 3.327 -21.583 2.207 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 5.219 0.626 6.507 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 -23.865 9.858 10.047 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 4.236 -29.219 14.965 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 -6.940 7.811 -2.535 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 23.857 -38.249 -16.706 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 -43.454 9.472 20.056 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 2.468 -0.862 4.754 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 -2.918 -6.652 -8.020 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 -10.194 1.717 13.024 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 4.872 0.810 5.383 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 -19.142 -19.913 -8.549 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 22.139 -19.626 20.373 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 3.117 -0.189 3.535 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 7.760 -0.387 -15.916 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 5.804 0.886 -15.536 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 1.484 -0.248 -5.874 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 1.574 6.193 -11.617 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 -11.754 3.164 -2.938 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 1.140 2.601 1.477 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 -6.980 8.744 -13.937 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 8.712 15.407 6.622 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 -3.679 3.560 6.027 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 -2.076 -16.860 0.123 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 16.650 -24.305 -6.403 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 0.233 -2.675 -0.831 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 22.178 10.871 -1.835 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 -6.209 -20.053 4.790 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 -3.311 3.822 -1.582 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 3.310 -2.329 17.715 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 5.185 -2.165 22.868 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 -0.664 -3.193 -2.744 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 0.454 -0.668 -8.146 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 1.489 1.409 -0.444 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 6.477 7.597 3.803 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 -0.220 38.826 13.159 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 5.796 11.390 11.014 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 0.011 -4.228 4.575 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 1.988 -16.164 -1.385 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 7.714 6.681 3.912 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 7.359 -11.814 -2.039 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 7.212 -21.509 5.449 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 15.051 0.044 3.387 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 -4.565 4.164 1.588 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 6.682 15.510 -2.249 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 -27.316 -18.005 3.722 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 1.015 2.093 -0.876 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 -4.668 -6.980 2.385 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 10.224 10.478 0.709 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 -3.253 -2.140 -4.333 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 -7.493 -12.269 15.564 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 -11.528 19.062 0.761 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 1.112 -4.880 5.184 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 -3.525 -5.595 5.883 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 -6.763 -3.814 -14.926 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 3.260 3.714 13.788 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 3.862 3.247 16.095 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 1.120 -15.751 14.399 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 -6.090 1.585 2.455 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 9.145 8.488 -11.292 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 7.026 9.504 5.819 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 2.245 0.435 -0.449 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 1.608 6.139 -24.856 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 14.858 11.988 9.098 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 3.066 0.128 -0.075 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 18.497 -1.528 4.609 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 12.868 4.003 -8.884 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 1.682 0.765 1.918 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 24.078 14.904 2.043 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 -19.531 18.339 -20.282 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 1.872 -2.464 4.442 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 -2.168 4.213 5.231 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 -11.003 4.386 14.231 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 2.039 -6.144 -4.714 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 -9.067 -15.077 -27.643 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 12.383 9.124 -18.874 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 1.138 -3.756 -2.718 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 -0.977 -10.433 6.757 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 2.374 -0.349 -5.717 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 8.606 -0.167 -0.590 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 -10.867 17.112 -14.731 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 7.263 8.242 27.555 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 -2.803 -7.056 -7.324 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 -16.612 -4.971 -0.465 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 9.539 -28.203 -3.026 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 -1.112 -1.182 -4.961 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 1.117 -1.919 -3.412 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 0.067 1.712 -4.737 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 -2.080 -1.442 1.377 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 -8.282 -23.483 13.612 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 0.928 15.603 -32.152 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 -1.958 1.523 5.495 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 -6.074 12.039 -3.702 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 -5.528 0.719 17.355 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 5.721 -1.486 -1.233 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 12.530 -6.905 -12.544 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 11.935 -6.148 -12.960 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 -0.155 1.030 -3.770 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 1.661 9.952 -7.591 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 0.417 -4.145 -4.459 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 -4.658 -5.263 3.332 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 5.779 -7.840 5.225 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 -35.989 -5.237 -12.836 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 0.905 7.011 -0.873 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 -14.728 -20.025 9.797 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 -11.750 14.448 -7.496 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 1.132 6.287 -0.056 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 -1.032 19.933 -5.031 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 -23.502 29.558 20.119 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 -7.322 -4.748 -3.172 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 4.958 12.032 -8.678 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 2.348 -15.473 -16.810 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 -12.192 -2.853 -6.968 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 0.516 -0.186 0.545 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 2.208 1.362 3.638 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 -3.635 -3.989 0.551 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 3.868 -1.147 10.716 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 -8.587 14.119 19.417 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 0.552 1.206 -7.923 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 -16.706 -5.638 -9.410 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 2.419 18.404 -3.400 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 0.988 -2.262 -0.524 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 -1.739 18.500 -2.228 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 -17.895 -7.308 5.658 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 2.936 1.761 2.133 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 11.063 10.709 -5.157 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 -15.808 -2.941 10.388 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 2.730 -3.347 -5.719 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 18.343 -12.201 -16.794 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 -9.450 2.622 4.628 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 -5.485 0.515 -2.641 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 -11.378 -6.139 -2.520 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 0.862 6.981 -2.255 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 0.433 2.258 -0.610 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 0.010 2.163 1.641 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 -28.207 -4.459 8.871 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 0.757 3.039 1.113 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 -10.347 14.045 -9.263 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 1.739 3.793 15.261 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 6.224 1.834 2.065 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 0.769 -7.382 10.201 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 -5.444 -17.408 19.067 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 10.811 -5.162 -1.787 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 -1.260 24.819 -1.553 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 12.861 -7.299 0.804 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 3.691 -1.578 4.743 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 -28.840 -5.385 3.641 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 -5.495 -14.234 0.876 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 -4.863 -0.251 -2.725 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 5.966 4.667 3.279 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 -17.352 -21.630 -11.323 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 -2.058 10.392 1.215 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 -27.768 22.073 -8.217 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 -4.984 -8.187 -0.299 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 1.120 -0.266 -5.669 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 -0.617 4.296 10.433 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 8.836 4.890 -12.079 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 2.710 4.682 -8.003 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 -1.895 1.524 -11.475 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 0.600 6.146 -7.358 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 -2.498 1.032 -2.450 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 6.250 3.206 -14.231 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 -9.108 -2.624 -20.733 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 4.158 3.072 -4.853 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 14.861 -6.342 -28.874 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 15.566 13.207 -13.248 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 3.983 -1.276 -5.380 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 -11.282 19.137 8.797 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 17.019 -4.762 17.299 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 -2.778 -1.470 -1.006 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 -6.279 -0.057 55.653 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 -22.005 -2.656 0.083 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 -2.143 -5.479 1.856 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 -0.047 -16.223 2.872 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 -5.879 -11.792 2.281 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 2.748 3.531 0.198 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 6.712 9.386 -15.507 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 -7.552 -5.577 3.914 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 -4.003 -0.883 0.618 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 19.859 -7.009 -4.303 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 -1.272 -4.061 3.481 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 9.757 3.418 11.156 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 8.970 -6.230 24.524 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 2.480 16.813 -4.909 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 -9.526 -2.422 -0.514 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 -5.194 -11.340 -9.204 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 14.722 9.856 -9.671 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 -4.668 5.352 1.345 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 -8.640 6.105 9.383 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 -27.259 -2.548 17.861 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 0.394 0.195 -3.197 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 -6.215 -10.346 15.275 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 5.776 22.170 11.289 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 0.672 0.069 -2.961 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 18.225 15.645 11.936 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 5.441 -27.381 -0.477 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 -4.365 8.381 0.576 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 -4.889 -12.030 2.393 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 -3.740 11.275 -17.993 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 -0.122 4.299 -2.315 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 2.833 -1.108 -6.736 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 -2.488 4.786 -10.708 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 -2.544 2.508 1.766 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 -15.903 4.987 6.430 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 6.288 -6.217 -2.021 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 0.893 -1.272 -3.537 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 -12.467 -24.379 -1.490 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 -1.153 12.535 16.174 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 -6.008 -1.763 1.512 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 7.565 -5.537 -33.121 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 -3.228 -8.090 5.100 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 -0.531 1.424 -0.499 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 3.291 2.030 3.419 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 -4.585 7.072 -3.705 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 -1.018 0.293 3.608 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 -11.642 -37.577 3.297 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 18.386 21.445 -9.349 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 -5.359 -5.944 4.981 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 3.930 -5.232 -1.922 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 -17.309 3.614 -10.007 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 -5.642 -4.487 1.771 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 -28.264 -11.462 -0.022 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 -13.258 -13.651 -0.846 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 3.374 -2.627 3.376 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 4.637 15.601 -12.610 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 -15.790 4.391 31.160 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 -0.700 3.125 1.174 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 3.215 2.486 -0.154 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 2.336 1.154 -16.515 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 0.710 2.704 5.117 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 -25.414 -4.628 -4.121 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 10.718 -11.920 -5.375 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 -2.105 -0.286 3.381 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 -1.247 6.871 -4.406 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 1.386 5.473 12.399 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 4.987 4.781 -2.613 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 8.096 8.336 -15.232 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 -16.540 18.915 21.856 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 -3.830 0.358 -1.323 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 17.245 5.418 -5.696 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 3.594 -0.404 -1.674 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 -2.713 4.965 10.104 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 -18.675 -1.344 -5.215 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 16.947 4.473 -1.844 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 -4.791 8.175 -5.299 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 -23.107 15.989 -9.920 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 -6.881 1.014 14.155 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 -0.604 3.505 6.557 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 11.770 -1.961 4.830 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 1.000 17.241 4.859 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 0.495 11.715 -1.437 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 -25.069 7.107 6.726 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 -11.111 8.322 12.667 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 -2.554 -2.044 3.350 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 14.870 -9.203 -14.376 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 -9.438 7.898 -13.389 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 -3.286 -1.989 -3.160 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 8.955 1.189 -0.613 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 -5.455 -11.831 4.757 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 -6.504 1.638 0.831 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 -22.429 -25.914 15.732 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 -3.946 20.527 16.609 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 7.808 -0.734 4.428 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 -3.696 9.578 -4.553 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 9.544 -13.292 -5.606 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 -2.289 -2.759 1.661 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 2.329 7.758 -0.042 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 -5.095 -11.748 0.641 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 -0.820 -2.441 0.173 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 10.428 6.266 -12.380 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 13.531 -4.979 -23.419 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 4.767 1.499 5.031 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 -32.824 -9.166 0.619 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 -21.056 -4.331 -3.761 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 -1.121 6.189 -1.290 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 7.166 7.393 -4.352 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 -13.811 15.681 -0.462 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 -4.889 1.098 -3.052 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 0.246 10.967 -1.917 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 -13.914 -1.128 -14.590 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 1.636 4.184 -9.353 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 -0.536 6.827 -14.129 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 16.054 -1.908 5.168 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 -2.602 -5.914 -1.695 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 -3.266 7.065 11.500 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 6.498 -21.839 8.246 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 -7.196 -8.327 3.918 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 -35.849 -10.243 -19.663 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 10.669 5.825 4.943 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 -1.925 -0.971 -3.181 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 -6.561 14.873 2.814 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 -0.441 -16.310 -0.234 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 0.129 -1.637 2.667 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 19.829 -16.263 -15.191 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 -4.098 2.531 11.247 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 -4.913 1.629 -1.666 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 -11.412 1.083 -15.284 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 -8.819 11.762 6.900 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 -2.072 2.795 -1.872 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 -13.622 -4.157 -9.455 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 -0.847 -0.273 2.762 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 -2.625 3.550 1.500 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 -12.718 2.065 6.771 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 23.095 -0.399 -25.170 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 -0.414 0.481 3.132 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 -3.271 7.193 -6.604 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 2.654 -4.222 -17.125 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 -5.528 -9.712 5.982 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 -13.278 -8.748 6.298 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 -25.197 4.256 12.135 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 -4.321 -0.925 -0.016 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 -20.456 1.621 5.777 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 -2.933 1.090 14.476 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 2.288 -2.406 -5.368 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 4.927 4.115 2.231 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 9.612 -0.476 -3.387 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 1.281 -1.464 4.220 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 16.800 6.529 -11.660 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 -14.678 -0.410 17.641 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 3.403 -2.555 1.244 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 5.946 -7.267 6.824 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 -5.629 13.497 -24.069 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 1.422 6.812 -2.472 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 -5.439 -3.051 3.977 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 5.296 21.614 5.803 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 -4.975 5.073 -4.172 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 7.924 14.776 3.651 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 30.580 -13.927 0.920 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 0.885 -2.307 3.714 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 -5.105 -11.992 10.435 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 7.650 3.220 4.867 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 -3.139 2.022 0.787 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 -7.874 8.576 -10.910 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 8.580 -1.620 11.144 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 3.938 -0.422 9.620 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 0.565 2.770 2.572 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 12.973 6.690 3.066 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 0.570 3.812 -3.621 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 1.012 -3.093 -17.567 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 -21.110 3.270 3.527 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 -0.348 -0.055 0.243 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 10.609 -4.169 -0.981 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 -6.370 -13.257 -8.704 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 -1.268 -4.899 1.263 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 13.203 -11.265 11.506 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 -20.603 -18.507 8.197 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 2.469 4.833 0.408 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 3.265 1.462 -5.825 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 0.528 -4.266 -14.061 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 -5.852 -0.772 6.978 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 0.946 1.673 13.269 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 4.507 2.787 9.301 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 -4.984 -1.978 -3.501 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 9.404 -17.562 7.598 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 -35.182 0.231 31.234 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 -5.228 -0.410 -0.112 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 2.729 -11.446 7.054 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 -2.592 -2.421 -13.955 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 -1.752 4.665 4.660 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 -1.404 13.877 2.858 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 -12.667 -0.645 -3.716 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 -1.322 -0.142 10.084 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 4.449 -8.797 12.560 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 -1.215 -0.519 -8.431 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 1.301 1.465 6.490 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 11.608 21.171 -3.967 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 -24.188 10.523 12.400 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 5.860 -3.030 3.001 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 -8.744 10.747 -2.700 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 12.367 -9.770 6.535 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 -0.371 -1.279 -4.805 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 -9.187 -8.552 -11.628 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 -5.045 8.585 0.846 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 0.229 2.532 0.456 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 11.911 6.750 3.486 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 7.284 -16.976 23.280 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 0.107 -0.242 1.796 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 0.221 8.816 10.742 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 20.312 18.048 -9.640 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 3.642 -7.594 -3.370 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 -14.183 -7.663 2.031 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 -1.319 7.866 7.627 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 -0.113 -7.509 -1.351 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 9.601 -31.468 -19.928 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 -9.085 -1.441 -14.446 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 -0.196 3.937 3.111 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 6.888 14.579 1.874 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 -21.654 -7.114 10.832 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 -3.618 1.134 -0.173 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 -1.317 -6.215 -13.556 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 -23.347 -3.798 31.823 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 8.826 -4.521 -8.906 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 19.535 -6.596 -1.549 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 -7.691 -34.467 -32.797 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 2.191 4.893 -0.968 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 17.494 7.467 -6.004 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 -4.528 -4.151 -10.240 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 0.435 0.237 -7.165 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 1.727 0.135 -11.610 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 0.459 5.197 -12.043 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 -4.396 -3.547 -2.520 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 -17.535 4.657 -1.006 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 -7.041 -10.264 -16.531 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 2.233 -0.583 -3.785 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 -0.328 7.131 5.236 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 -2.573 -1.702 -23.785 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 -8.560 0.291 -0.961 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 9.309 -7.043 24.059 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 -23.169 8.998 -7.796 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 -4.504 5.299 0.279 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 -2.771 5.892 -1.686 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 14.641 -7.439 -18.987 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 6.094 2.887 -0.772 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 7.463 0.695 6.321 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 -11.105 -4.281 3.144 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 -2.036 -1.634 6.452 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 9.427 6.017 2.095 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 11.512 10.733 1.773 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 0.803 2.966 8.000 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 4.086 -3.234 3.548 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 -0.394 -8.302 3.340 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 -2.772 -0.428 3.768 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 2.347 -0.087 0.117 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 -7.021 -1.042 7.679 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 1.469 -2.048 -4.061 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 2.763 0.209 -9.368 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 1.321 -2.245 -0.285 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 -0.515 -0.244 3.339 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 -27.718 2.451 24.131 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 -10.875 -19.462 -18.644 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 -4.304 4.323 -1.061 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 -4.118 12.762 0.675 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 -3.865 -2.546 -9.003 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 -6.329 1.402 1.748 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 -13.194 -0.223 28.090 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 -0.407 -2.949 34.714 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 -3.004 1.864 -0.910 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 1.750 10.055 -8.409 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 -7.370 0.457 -14.149 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 -0.472 -1.678 2.669 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 -14.647 7.893 16.169 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 -4.946 -9.045 0.466 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 -8.136 -4.637 -3.795 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 -16.232 6.615 -6.105 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 -16.898 8.250 -7.685 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 -3.550 -4.121 3.665 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 1.508 -1.746 19.878 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 -6.056 6.435 20.211 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 3.961 0.844 -6.540 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 23.947 -23.317 1.418 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 10.113 4.133 -4.636 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 -0.049 1.879 -0.909 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 23.785 6.230 -18.040 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 11.445 -14.892 6.307 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 5.043 -9.269 -7.777 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 10.947 -6.493 11.920 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 4.846 -13.075 15.844 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 4.585 2.119 -2.192 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 17.155 24.238 -11.121 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 12.522 2.658 -20.199 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 -0.997 -1.349 -1.411 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 9.458 9.616 -11.098 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 5.013 -2.980 15.031 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 1.033 0.273 4.131 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 4.771 3.051 5.526 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 -20.288 -15.118 -16.296 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 7.781 -0.905 -1.757 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 6.992 0.336 -2.504 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 2.357 -2.219 -5.831 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 6.213 2.046 -7.059 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 17.054 12.929 3.708 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 5.913 -4.923 -6.259 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 -1.756 -2.650 3.317 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 6.507 18.872 5.136 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 -14.107 -10.844 22.618 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 -11.007 -5.864 -0.239 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 -9.951 -8.705 -1.179 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 -10.418 -14.601 13.601 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 -3.131 -2.354 0.325 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 -5.744 7.094 -7.918 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 -22.241 -5.366 -16.282 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 2.725 2.405 -3.199 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 -3.922 3.031 9.370 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 5.515 17.688 -9.714 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 3.457 -4.993 5.652 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 -3.858 -37.586 8.920 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 0.641 -17.053 4.368 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 0.643 -3.052 0.205 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 -2.398 -1.861 -10.551 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 3.756 -3.607 11.601 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 -6.767 -4.438 1.097 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 -8.115 -8.698 17.586 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 17.170 5.109 -32.673 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 0.620 -0.554 4.060 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 -5.173 2.488 -7.212 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 -13.145 -5.543 23.028 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 3.550 4.043 -4.040 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 2.666 -17.605 -15.312 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 -0.601 8.324 -0.085 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 4.606 -0.524 1.644 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 26.961 -7.914 24.950 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 4.909 -28.394 0.263 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 -8.527 -0.984 2.141 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 10.347 -0.524 5.768 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 -1.139 0.175 10.215 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 -5.600 1.425 -12.561 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 7.370 3.330 -5.423 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 -6.729 -1.021 -14.318 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 8.482 -3.658 5.177 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 1.364 -12.417 11.085 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 1.493 17.719 1.771 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 2.966 -2.926 -2.728 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 -12.685 -8.670 -5.162 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 -14.712 -19.015 17.971 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 3.711 0.756 4.057 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 5.270 -3.890 8.396 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 9.406 4.808 7.782 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 0.823 1.114 -1.047 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 -3.185 6.900 8.936 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 6.637 -9.749 -14.420 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 2.574 3.660 4.556 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 19.592 4.770 -2.925 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 -9.975 -1.071 -7.084 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 3.017 0.235 2.228 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 7.691 -3.366 15.979 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 0.502 3.558 -8.876 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 -4.326 -0.772 1.359 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 -5.595 -2.730 -1.324 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 -8.398 0.866 2.536 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 2.924 4.098 2.563 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 -1.792 -4.479 7.173 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 -18.212 -4.844 10.858 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 3.534 10.806 0.628 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 18.504 26.317 -18.468 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 -3.773 1.135 11.896 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 0.515 1.047 2.921 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 -4.524 14.351 -11.185 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 -12.341 14.980 -7.174 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 -2.174 -11.562 2.592 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 5.921 -31.212 -0.385 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 -8.314 -10.212 4.722 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 -3.782 0.060 -1.631 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 -9.689 5.854 1.257 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 10.366 1.985 0.805 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 -6.225 2.396 -2.109 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 -18.157 -2.048 10.223 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 11.285 3.362 -11.154 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 -1.685 4.096 -0.991 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 -6.507 -5.860 -1.302 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 7.767 -2.142 8.210 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 0.493 0.634 -6.645 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 -1.546 -20.002 -43.727 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 9.206 -2.583 -7.627 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 1.639 -3.021 3.192 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 -6.706 9.566 7.769 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 2.574 -0.510 3.413 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 3.913 -0.791 -1.333 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 5.653 -12.377 -2.518 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 4.711 -6.528 -1.902 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 1.963 0.015 -3.901 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 2.061 6.558 3.332 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 -10.325 5.941 8.924 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 1.375 -0.668 5.802 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 3.809 -13.946 1.628 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 -11.433 20.392 -4.407 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 -1.604 2.823 11.312 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 -8.378 13.490 9.602 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 5.170 -10.220 -4.613 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 1.818 -1.850 -1.214 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 2.130 -5.717 -16.941 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 11.282 1.883 20.183 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 -0.305 -3.257 -7.813 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 -20.078 -19.574 19.424 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 -4.624 -15.797 -9.375 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 -4.074 1.190 4.647 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 -6.745 -26.001 -7.893 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 -1.842 -1.788 -14.163 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 -1.886 -6.922 0.718 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 0.644 -12.455 -16.584 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 -15.086 -16.886 5.669 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 0.828 -1.498 -1.483 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 13.616 13.170 7.503 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 3.419 -14.011 12.393 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 5.358 0.856 -5.618 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 4.280 0.145 -18.190 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 8.120 -4.893 -26.651 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 5.634 0.556 2.089 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 -22.789 -15.479 -6.940 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 3.640 13.122 -28.539 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 4.980 0.794 5.717 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 24.134 -4.371 10.941 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 4.807 6.417 -8.299 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 -4.796 3.255 1.179 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 8.979 -17.320 4.606 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 5.184 4.103 -11.316 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 -1.753 -2.349 -0.571 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 8.294 -12.783 -2.175 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 12.435 6.261 8.311 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 2.257 1.731 2.623 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 15.015 -5.749 30.541 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 15.816 -12.326 -19.915 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 3.374 -2.002 -0.389 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 30.232 5.180 -28.508 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 -9.266 -26.913 7.303 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 -6.180 2.239 -4.045 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 -2.743 -10.327 1.358 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 -11.727 -6.288 7.517 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 0.171 -7.010 -6.432 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 1.401 -13.285 -3.032 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 -9.306 -5.616 -7.540 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 -1.818 9.505 -3.926 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 1.380 15.866 9.522 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 -15.457 -8.872 -27.717 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 -3.086 3.070 1.662 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 11.397 -2.973 24.553 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 4.671 -1.844 6.215 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 1.489 -2.406 3.004 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 -13.778 0.654 9.655 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 -9.687 3.807 15.404 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 6.681 0.511 0.749 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 -0.366 -1.070 -3.071 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 13.235 1.345 5.051 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 0.948 -2.522 0.466 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 -20.281 0.151 24.426 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 2.994 -20.791 -33.431 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 1.520 -5.727 -0.208 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 0.549 -7.921 -11.233 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 7.300 -24.420 -0.702 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 -7.361 0.642 2.676 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 10.579 -26.126 10.421 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 7.271 -7.489 16.042 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 -4.257 6.908 -0.552 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 -20.820 5.622 0.839 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 11.751 8.244 -6.662 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 -4.390 -5.149 1.483 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 1.438 -11.997 -4.091 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 -1.715 -7.940 -1.501 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 -1.418 1.209 3.020 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 -16.862 -7.728 -7.604 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 -8.892 -10.150 1.456 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 -3.341 1.656 7.085 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 -11.073 16.806 3.047 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 6.972 -9.303 23.214 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 4.807 -1.726 3.507 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 3.715 10.838 13.992 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 13.859 6.012 -14.597 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 -3.785 -5.951 0.617 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 12.348 -4.349 1.058 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 -6.149 -9.805 -9.530 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 2.317 -1.087 3.352 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 1.049 -8.316 9.530 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 -1.275 -21.516 20.005 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 0.929 -3.504 -0.167 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 -0.895 -1.189 -3.604 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 -6.574 -1.793 -22.724 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 -0.270 -0.131 1.518 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 -4.520 27.715 -9.707 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 -7.867 7.628 36.100 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 1.208 1.348 -2.069 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 4.490 3.444 8.283 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 -12.128 -11.168 2.925 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 2.880 1.772 0.102 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 10.729 -4.387 -22.938 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 -23.968 -9.137 22.905 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 3.321 4.750 2.603 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 -10.993 -17.023 0.796 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 -31.264 17.223 1.112 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 -0.254 4.848 -3.636 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 25.615 -12.510 0.134 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 7.734 13.029 14.944 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 0.469 9.523 -3.718 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 2.387 7.449 -4.647 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 3.811 7.691 -4.891 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 -1.934 0.107 4.407 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 5.794 -22.967 4.851 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 -15.663 2.098 23.915 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 -4.185 -3.954 3.370 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 3.623 0.714 3.624 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 1.721 5.738 0.423 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 -1.111 -4.753 -0.115 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 3.212 4.928 20.015 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 5.350 1.881 0.515 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 -2.789 4.587 -1.552 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 3.770 12.337 -2.299 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 -9.222 23.020 5.311 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 1.144 8.988 -7.435 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 4.605 6.793 -7.284 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 15.959 0.776 -7.601 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 2.687 -0.680 -2.760 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 3.754 8.335 -15.451 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 -10.832 3.288 3.098 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 -4.670 -4.776 1.393 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 -1.301 -6.054 5.050 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 -1.094 0.971 -2.694 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 -5.200 -1.544 -0.311 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 3.423 1.202 3.026 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 -6.809 -14.919 16.882 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 -5.575 -1.874 -5.328 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 -0.365 4.641 5.517 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 2.950 16.680 5.746 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 6.647 3.237 5.531 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 7.907 -3.738 0.494 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 1.582 6.247 12.313 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 1.461 -1.415 5.754 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 3.992 -20.156 -41.466 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 18.970 6.916 21.245 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 -5.392 6.284 -1.484 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 -18.451 -2.319 -3.293 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 3.822 -7.193 0.985 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 1.327 0.164 4.376 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 -2.039 -15.082 -0.179 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 5.281 0.144 -6.008 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 -3.535 -1.608 3.918 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 -4.409 -6.769 -1.877 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 7.476 7.519 6.258 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 -0.743 0.596 -1.794 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 0.440 -3.605 0.499 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 6.314 20.768 16.357 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 -5.645 -3.254 2.018 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 -6.850 -3.440 -4.741 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 -12.698 -22.719 13.857 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 0.185 2.530 3.160 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 19.815 18.349 13.542 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 -10.076 -5.787 -2.261 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 -5.951 -3.854 -0.470 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 -2.873 -9.289 -9.604 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 -0.576 15.923 5.267 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 4.700 5.696 7.649 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 -5.910 -0.445 28.745 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 1.391 2.206 7.764 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 -2.615 3.920 4.628 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 -7.230 5.354 1.977 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 -7.182 20.266 -7.556 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 -4.211 4.415 3.595 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 1.456 -0.632 1.917 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 -13.666 -2.921 4.468 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 -3.746 3.446 1.986 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 10.984 13.038 -5.432 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 -11.929 -1.130 4.210 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 0.257 3.595 4.867 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 4.588 -13.446 4.303 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 -6.504 13.264 -2.218 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 -1.740 -3.579 3.814 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 3.924 -9.564 18.142 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 -16.792 2.538 41.427 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 -1.866 -1.501 1.098 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 -14.411 10.849 -6.303 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 -3.566 1.406 28.535 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 -3.958 -1.722 -4.496 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 -11.250 -2.603 -10.079 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 -9.142 -1.299 -1.071 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 -5.478 7.039 1.621 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 -0.888 7.905 -4.362 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 13.149 2.056 -12.385 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 0.180 1.003 -5.233 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 -3.383 1.681 -11.440 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 3.782 1.562 -10.266 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 -5.693 0.777 3.982 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 -5.486 2.329 5.813 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 1.544 4.958 15.377 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 2.888 4.561 -7.409 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 -0.448 8.661 5.989 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 4.378 -3.187 0.118 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 2.933 1.277 1.784 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 5.221 -2.021 16.749 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 7.746 1.814 -5.302 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 -5.807 0.656 0.615 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 11.137 -45.479 -12.290 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 24.220 22.608 -26.587 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 -1.282 -4.294 0.699 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 -7.434 -8.138 -10.410 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 1.790 2.364 -5.829 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 1.486 3.323 4.888 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 -28.425 -10.457 -0.005 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 -0.465 -17.045 22.887 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 -1.429 -6.558 2.983 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 3.422 -3.024 2.715 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 9.072 10.376 6.376 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 -4.388 0.236 -1.093 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 -4.005 9.949 3.128 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 -3.530 13.950 5.350 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 2.391 -1.407 -1.799 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 3.767 9.576 21.654 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 -18.538 9.215 -13.624 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 1.036 -2.495 0.287 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 -1.242 -10.611 -26.205 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 5.246 17.506 21.958 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 3.563 -0.504 -4.222 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 -25.280 -15.842 3.573 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 -24.026 -28.266 3.876 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 0.744 -1.997 3.572 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 -6.174 -13.776 -5.308 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 -12.435 -14.584 6.412 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 7.046 -7.938 3.449 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 27.138 1.465 1.814 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 -9.906 8.442 7.229 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 -6.543 3.161 -0.471 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 14.479 1.996 0.716 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 2.581 2.672 -1.803 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 7.062 3.071 3.208 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 -13.716 -3.220 -31.765 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 -1.099 -10.045 21.222 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 6.121 6.712 -7.332 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 3.720 7.471 -4.933 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 -14.013 8.196 14.941 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 -1.306 4.497 0.676 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 -2.997 0.968 3.075 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 -37.885 1.242 5.250 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 9.641 2.101 -0.797 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 2.682 7.287 6.205 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 -11.776 24.145 -2.456 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 -2.835 2.277 1.125 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 -2.718 3.443 1.345 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 -0.870 6.040 8.674 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 0.378 -5.324 -3.731 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 3.437 -2.111 -1.132 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 -3.836 -7.268 -0.911 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 -1.790 4.833 0.264 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 5.447 10.034 -5.481 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 -8.380 -4.757 0.232 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 -3.638 3.375 1.106 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 -3.090 4.243 -9.648 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 -20.137 -4.453 9.412 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 -1.978 3.489 4.608 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 8.872 10.639 -3.478 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 4.944 2.700 -10.682 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 5.169 -3.565 -4.080 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 -7.831 5.989 -17.127 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 -22.738 15.982 18.852 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 -10.233 -2.666 -3.421 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 -8.210 8.768 -10.306 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 -13.535 5.716 10.322 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 -4.965 -0.232 -6.361 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 -15.740 -3.479 -6.475 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 8.561 3.079 -10.343 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 5.701 5.093 1.340 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 3.349 8.378 -0.331 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 0.278 -1.220 3.001 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 8.134 -3.988 2.651 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 8.225 -9.192 10.232 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 -14.689 -8.224 -7.566 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 -1.847 -2.453 -0.610 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 -1.256 3.967 -1.079 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 3.449 -2.871 3.718 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 -2.343 3.444 -4.396 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 10.392 12.559 24.206 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 3.204 4.731 18.918 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 -2.225 -0.590 -7.013 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 -17.103 12.794 -42.257 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 -18.460 -13.670 -11.674 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 -6.065 -2.236 -4.970 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 10.507 9.576 -48.877 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 -6.156 8.121 5.614 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 8.128 -0.441 -4.169 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 -8.502 2.198 2.261 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 2.999 6.762 -5.080 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 -7.052 1.058 -6.795 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 -13.517 8.308 -19.703 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 -13.594 4.519 9.948 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 3.989 6.498 -0.280 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 -2.653 15.296 13.090 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 -10.004 10.414 20.265 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 -2.436 0.589 -5.398 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 6.210 -2.952 -0.571 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 -2.012 -9.766 1.269 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 -0.219 -0.402 -0.384 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 -14.051 -1.986 -2.733 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 3.782 11.377 7.116 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 -1.477 3.404 -2.539 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 -1.610 -7.637 -30.911 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 -17.592 15.401 -2.524 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 2.335 -5.184 7.138 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 2.662 12.858 -1.547 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 -31.168 -4.989 16.551 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 -12.518 1.490 -1.223 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 5.878 8.279 -5.861 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 -5.911 -7.251 13.017 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 2.591 -2.562 -6.670 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 -19.058 0.976 -19.974 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 7.554 -29.045 2.897 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 -2.591 3.003 4.708 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 -12.927 -21.075 13.743 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 -10.040 18.593 21.252 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 -6.820 -0.917 -4.903 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 -15.140 -1.640 29.161 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 26.457 15.087 0.572 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 3.497 4.897 -3.193 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 -7.139 16.660 -17.478 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 7.704 21.079 -25.159 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 3.621 -2.205 0.482 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 -0.561 8.949 12.013 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 1.145 -10.710 -3.538 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 -0.082 -5.550 -1.509 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 -1.702 4.183 16.815 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 -5.352 -7.585 -14.190 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 2.542 2.868 4.376 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 1.646 -3.100 1.017 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 3.725 3.240 2.346 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 -6.917 3.303 3.610 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 2.266 29.709 -5.948 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 -0.781 -4.726 1.655 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 0.720 -0.214 1.389 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 1.952 3.416 -3.817 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 -6.744 -16.326 8.412 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 -1.417 -0.273 0.034 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 -2.631 -3.613 -3.861 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 7.335 15.547 -6.562 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 6.122 11.160 15.116 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 -4.522 6.877 2.545 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 19.902 20.969 32.639 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 1.277 -3.375 -6.585 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 12.426 -16.117 -8.921 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 -1.290 2.009 -8.660 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 1.855 -3.376 6.534 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 0.888 13.797 1.218 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 -2.433 -19.185 -0.913 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 1.589 -1.911 -0.906 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 3.248 -0.741 1.279 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 -13.461 -1.325 -4.288 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 -2.787 -1.339 -5.344 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 -9.753 -12.077 -4.747 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 28.845 -13.008 14.863 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 4.481 -5.576 2.678 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 7.096 9.497 -6.183 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 0.313 25.180 13.348 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 0.906 -4.241 -2.819 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 0.618 -0.334 -19.327 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 -0.704 9.041 5.148 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 -3.514 5.984 -4.813 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 -29.837 -9.633 -1.329 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 -4.770 3.188 -2.761 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 -4.046 7.592 2.307 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 -2.602 -3.818 4.269 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 16.721 -3.322 8.171 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 5.015 3.931 -3.649 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 3.518 18.417 18.006 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 5.639 4.043 -5.896 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 -2.282 -4.851 -0.800 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 -2.591 -4.805 -20.326 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 -2.245 -11.281 1.914 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 4.669 6.107 -13.034 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 3.001 15.330 -14.963 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 7.110 12.616 -19.894 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 -1.701 -2.283 4.308 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 -13.209 -0.846 5.912 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 -11.485 -14.582 -7.218 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 8.293 2.738 3.014 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 10.193 6.640 8.275 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 6.113 5.901 4.488 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 6.235 -2.724 -5.633 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 16.461 -8.829 -2.333 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 -0.921 10.586 0.164 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 2.731 -2.163 4.486 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 2.838 -10.914 2.529 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 6.741 -16.800 -0.971 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 -1.344 -0.611 4.638 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 2.924 -4.619 11.570 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 -2.651 -4.318 -21.247 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 -2.621 6.435 -7.671 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 -1.464 0.327 -14.338 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 -3.407 13.234 2.088 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 -2.138 -3.564 1.124 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 -11.002 7.364 0.663 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 -8.435 -20.144 3.954 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 6.349 5.037 -2.801 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 3.941 3.616 -3.727 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 22.363 1.336 -0.873 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 0.497 4.055 -0.594 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 -19.326 -5.866 6.266 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 5.161 6.268 1.256 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 2.502 -2.530 -3.729 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 6.981 5.616 -15.537 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 -6.290 -10.756 -2.530 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 7.132 3.266 5.609 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 -1.723 -0.881 -7.254 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 -8.574 -4.541 -14.879 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 4.395 -5.653 5.092 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 7.163 3.581 11.101 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 14.667 -19.245 -7.693 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 4.063 -0.099 2.091 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 -4.730 -0.219 -4.509 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 17.828 -8.651 0.820 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 2.126 2.809 5.086 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 6.058 3.222 -13.348 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 -0.808 1.253 20.138 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 0.270 2.409 -4.854 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 2.995 -19.545 -3.058 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 3.630 6.329 -18.342 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 0.981 4.331 -6.092 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 -9.727 10.759 -11.411 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 18.024 27.850 12.112 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 0.586 -0.174 0.691 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 1.358 -14.473 -13.397 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 27.790 1.488 -5.682 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 2.267 -0.785 -7.383 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 13.106 -4.750 -17.227 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 -3.394 -9.793 12.941 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 -1.740 -4.150 -7.548 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 3.670 -18.483 -0.610 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 -22.363 10.753 13.819 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 -0.362 3.960 3.519 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 3.326 -12.399 -7.985 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 -17.609 0.533 22.196 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 7.422 -0.123 0.023 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 -4.187 2.850 -4.174 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 14.142 0.735 -9.756 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 1.070 -4.319 -3.145 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 17.110 3.484 -6.589 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 -2.012 -12.004 18.111 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 1.749 5.560 1.278 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 8.414 -0.884 -14.182 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 -10.120 8.297 0.974 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 10.479 -5.816 -2.663 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 -2.633 -0.615 -25.283 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 2.635 -35.338 -4.259 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 4.460 -5.203 -0.874 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 -1.499 -6.775 -0.567 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 -8.331 1.723 35.901 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 4.466 -1.920 -0.579 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 40.279 16.785 3.493 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 -13.787 14.636 -4.608 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 -0.563 3.607 0.516 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 12.724 -19.611 17.840 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 -16.166 6.897 -17.357 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 -5.278 -4.705 0.858 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 -9.110 -13.454 -3.387 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 0.059 -0.594 -8.864 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 1.433 7.517 -1.542 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 25.453 -4.332 3.493 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 -33.202 9.733 2.027 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 -0.357 2.924 -3.335 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 3.600 10.817 -4.343 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 -7.213 42.808 -7.648 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 -1.110 10.008 -0.207 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 3.308 17.317 9.267 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 21.506 -15.377 -25.020 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 -0.750 -3.905 -4.245 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 8.957 -0.198 12.394 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 0.582 7.705 -9.757 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 -4.193 -1.951 -3.554 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 -4.456 -26.673 -0.361 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 9.860 -17.996 0.869 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 -5.082 5.367 -3.290 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 24.603 -23.618 6.585 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 36.280 -9.815 -6.360 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 3.381 -0.929 -7.950 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 1.001 -9.837 -26.755 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 -17.472 -4.995 14.026 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 -2.515 0.110 -1.146 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 -4.629 -8.433 -25.993 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 -6.855 -9.122 24.429 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 3.194 -1.075 -5.040 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 -7.195 7.215 -28.386 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 -4.635 -11.936 -4.690 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 -2.537 1.795 -1.524 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 -1.031 -13.362 0.497 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 -6.151 -37.097 3.691 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 -0.293 -0.638 -7.853 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 21.111 2.517 3.101 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 8.805 -8.364 10.209 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 -1.099 0.980 -3.973 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 15.881 8.598 3.765 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 -2.215 8.164 -9.890 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 -6.931 2.184 0.612 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 -1.478 -1.418 0.050 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 -8.801 -13.749 4.625 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 0.731 -2.588 -5.211 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 5.641 -10.749 -23.164 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 -4.087 12.908 -8.857 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 -2.373 1.326 5.388 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 -29.861 18.986 -29.055 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 3.320 6.890 8.589 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 7.537 1.393 2.263 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 17.566 10.434 4.069 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 -5.545 -10.580 40.456 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 -2.863 -8.551 0.365 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 -26.165 -15.352 5.551 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 -21.576 -9.013 -12.854 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 -12.577 -5.753 -3.095 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 -14.814 -8.781 -1.368 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 -11.256 -2.822 -4.272 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 -4.760 5.074 -0.602 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 -23.980 16.119 -5.295 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 9.047 3.331 -10.444 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 1.795 -2.822 2.169 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 20.460 -2.681 27.475 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 2.498 -0.903 1.028 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 -0.823 3.843 -9.357 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 -9.117 21.698 -20.165 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 -15.929 -1.210 7.346 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 3.811 -5.012 -4.657 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 28.421 2.853 -0.305 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 -9.170 -3.830 -11.752 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 -6.549 -7.737 -3.187 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 10.768 1.294 3.534 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 18.784 -2.155 2.896 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 2.249 -2.525 6.703 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 19.480 -6.723 25.488 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 0.991 23.923 16.072 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 3.818 -3.415 1.212 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 -5.144 6.569 -7.345 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 3.170 -15.128 0.318 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 0.931 3.043 -2.184 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 -20.468 21.945 17.546 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 -8.952 -5.206 9.698 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 1.447 2.148 2.489 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 -0.401 6.727 -6.844 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 18.574 -19.161 -8.404 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 -1.775 1.103 12.751 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 -2.267 -1.179 -27.784 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 -22.607 17.464 27.857 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 -0.152 5.931 -5.291 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 -20.283 15.093 9.774 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 -4.914 -27.450 -6.014 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 -1.950 5.136 5.114 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 13.554 2.280 26.681 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 25.264 19.387 -0.108 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 -6.728 0.901 -0.921 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 6.662 1.448 11.712 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 -6.428 -4.719 30.842 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 -4.079 -3.553 3.067 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 -15.166 -6.881 1.952 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 -1.244 3.538 14.831 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 -2.287 0.369 -7.990 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 -13.814 -3.281 -1.398 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 -8.908 -2.362 -11.250 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 5.821 -2.851 -0.684 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 5.121 -6.971 -8.983 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 19.396 10.103 18.605 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 -9.232 1.345 5.514 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 24.376 0.143 14.313 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 22.881 -10.352 -18.969 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 -1.674 4.231 5.796 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 3.865 -11.959 18.490 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 9.084 -7.582 -3.142 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 3.584 -7.519 -1.048 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 20.018 -1.520 -23.066 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 1.102 -12.250 -4.221 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 -5.806 -2.699 4.965 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 17.849 14.954 -5.804 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 7.037 13.611 24.070 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 2.027 1.834 -3.886 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 9.966 16.718 12.916 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 -1.902 -16.199 13.002 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 0.482 6.335 1.436 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 -0.931 -10.460 0.337 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 -5.274 0.403 13.184 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 -2.840 4.102 2.009 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 31.804 -27.430 -9.245 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 -10.016 12.666 -9.730 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 2.669 -4.045 -4.616 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 -16.134 5.451 9.491 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 9.453 0.484 2.850 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 -0.849 -3.232 -0.645 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 -15.867 3.199 14.492 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 -8.044 0.228 5.950 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 -1.273 3.160 -2.293 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 6.230 -23.464 -3.930 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 8.997 16.683 -26.118 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 -4.316 -0.650 0.802 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 -0.481 -5.252 -29.960 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 -15.108 1.049 3.739 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 1.593 1.468 -4.404 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 6.622 10.333 29.852 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 -5.432 -20.219 -13.232 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 -1.556 -8.804 2.666 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 0.149 -10.811 -2.511 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 4.506 -14.867 -22.224 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 -5.287 2.771 -5.037 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 -5.122 2.402 -0.258 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 -3.660 10.531 15.521 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 -7.006 5.827 5.303 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 1.725 12.919 17.138 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 -10.215 1.043 0.774 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 3.085 -8.198 -2.317 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 -2.761 -11.153 2.896 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 3.270 -7.951 -1.701 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 -4.981 -1.059 -5.263 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 4.222 5.658 -9.228 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 -14.470 -3.778 -13.391 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 -2.165 -0.085 4.048 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 9.463 -12.887 -5.375 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 -27.600 -8.409 -16.827 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 5.126 -5.830 3.966 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 -2.976 -4.005 15.698 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 1.304 -10.852 -6.062 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 -0.897 -4.903 -1.079 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 3.459 8.218 -16.033 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 5.785 7.199 15.234 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 3.343 7.701 -3.922 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 -14.128 -1.978 -16.085 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 4.075 22.514 -7.813 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 4.706 -0.896 -2.954 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 6.702 -0.563 3.126 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 1.560 -2.982 12.888 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 -3.733 -3.294 1.782 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 -2.266 -15.139 -4.585 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 -31.404 -12.956 1.949 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 -4.298 -2.376 -4.335 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 -31.076 -24.289 11.986 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 9.786 5.753 1.161 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 -3.997 -7.131 4.999 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 -7.829 -2.116 -4.560 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 20.650 -22.441 -1.585 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 -4.405 2.352 -5.706 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 8.867 -4.219 2.776 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 -0.213 -5.963 -10.582 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 1.213 2.310 7.427 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 8.875 -2.144 5.572 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 -3.497 15.159 7.683 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 1.365 4.075 -3.914 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 -13.582 1.815 9.904 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 -7.009 -9.798 -11.025 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 7.445 3.111 2.348 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 0.301 34.802 -11.626 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 -25.602 -15.587 6.057 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 2.847 7.681 -2.364 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 10.339 4.153 11.148 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 21.048 19.006 37.978 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 1.569 -0.695 3.945 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 -15.189 -13.034 22.529 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 -23.021 -9.228 14.728 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 1.199 -6.923 -0.304 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 7.063 -9.735 -29.328 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 -0.618 -25.226 -9.789 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 -0.678 1.838 -2.778 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 18.379 1.049 -0.668 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 -2.545 11.460 -12.393 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 -3.471 5.081 -5.679 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 -9.106 2.163 -0.188 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 -11.552 3.303 3.384 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 1.137 -1.677 -1.900 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 -14.256 -25.030 11.343 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 -3.659 9.235 14.901 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 1.156 -4.062 -6.110 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 0.454 -11.296 6.111 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 -6.535 -12.355 -15.211 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 1.777 3.351 -5.866 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 14.217 -22.850 -20.683 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 18.156 15.091 7.953 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 5.714 -3.446 -1.328 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 -0.759 15.959 0.092 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 13.607 11.007 -4.025 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 -5.304 4.935 -1.649 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 -0.729 9.835 15.906 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 -11.018 -5.745 -15.261 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 4.354 0.640 -1.494 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 12.588 5.002 -4.112 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 -2.201 5.091 -4.888 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 0.273 -5.223 -8.907 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 6.817 -12.935 -37.252 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 17.545 -19.593 10.679 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 -3.790 0.914 -1.933 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 -6.579 -34.911 -0.064 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 -9.407 -9.702 23.091 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 9.084 1.594 -5.876 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 6.691 0.993 -2.737 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 6.147 -3.052 2.593 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 10.301 0.315 2.902 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 -4.436 30.708 26.891 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 10.937 -0.086 3.459 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 -2.378 4.200 3.352 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 -13.796 7.635 -38.298 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 0.257 11.977 8.903 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 -3.008 1.250 3.953 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 -14.597 -7.116 -17.498 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 -5.455 5.298 -7.297 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 -11.969 2.254 3.456 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 -11.989 11.996 8.432 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 -8.604 9.863 -7.358 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 4.185 2.042 -0.421 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 2.528 -3.114 15.072 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 3.524 -1.104 9.091 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 -1.346 3.633 9.457 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 -10.214 7.789 7.183 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 7.453 11.407 13.012 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 1.562 -0.061 1.966 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 -5.603 -6.234 -8.998 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 -6.149 -6.046 -17.459 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 -6.495 -2.370 -1.279 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 -11.417 10.744 -1.274 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 34.208 21.479 0.265 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 4.044 4.454 -4.342 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 6.907 -10.651 -10.912 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 -1.699 -18.021 -8.495 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 -4.557 -1.729 -2.043 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 3.652 5.578 -17.092 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 -13.947 -2.207 3.764 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 -0.051 -0.338 -1.815 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 -0.367 6.846 10.246 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 -3.918 14.136 6.508 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 3.129 -1.971 3.583 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 -6.299 9.355 6.736 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 -0.459 19.314 10.560 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 -6.983 -4.805 1.158 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 -15.843 -30.670 9.544 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 -1.042 13.099 -2.653 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 0.774 -6.244 -2.757 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 -11.764 -28.695 13.162 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 13.472 -9.623 -11.017 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 -10.811 -4.662 -4.623 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 -6.794 16.555 10.601 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 2.522 1.997 -7.230 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 -4.441 2.429 -0.748 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 10.983 1.146 1.444 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 2.695 -4.414 5.036 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 -1.006 -0.392 1.651 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 9.555 19.632 39.425 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 -7.728 -15.383 -24.237 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 4.375 -6.433 -6.565 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 -22.945 7.328 -1.064 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 -23.924 12.073 2.836 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 -0.363 2.082 5.804 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 -13.424 2.075 8.404 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 14.376 4.841 0.798 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 -5.872 -5.938 6.543 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 5.590 7.110 7.181 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 -4.414 -5.052 -9.837 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 2.544 -0.026 3.614 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 8.424 -31.356 -17.551 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 -23.993 -13.704 2.370 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 -4.171 -1.862 -8.746 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 -5.916 28.471 -3.007 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 -3.543 -6.162 16.389 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 0.245 -3.025 2.384 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 1.980 -7.777 13.861 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 13.870 -9.732 -9.790 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 3.586 4.516 -3.755 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 7.020 -13.603 16.361 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 17.304 -17.442 -35.536 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 -2.055 -1.902 2.272 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 -17.030 -9.043 21.534 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 -4.045 7.681 0.001 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 -7.305 0.449 -0.241 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 -14.596 -1.309 7.585 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 -7.049 -2.403 -7.753 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 5.574 -0.362 1.578 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 1.605 15.282 -5.816 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 7.964 16.890 17.109 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 0.600 7.375 6.623 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 -5.915 5.293 8.527 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 -13.947 0.101 12.734 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 0.226 5.035 -2.196 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 17.997 4.076 6.247 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 11.325 4.389 2.867 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 -5.178 -0.862 -5.474 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 -19.238 -7.447 -17.869 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 -21.858 7.068 -19.380 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 -4.722 0.978 3.735 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 -4.322 2.800 6.746 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 -12.937 6.713 8.238 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 6.724 4.054 0.152 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 -2.192 -3.728 2.353 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 11.850 2.596 7.941 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 1.609 -0.654 6.113 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 -8.633 -9.850 -4.598 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 -21.161 11.191 25.319 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 0.178 0.082 -0.773 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 7.453 -3.782 -8.143 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 13.722 -4.724 -12.449 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 -2.629 -0.798 -2.197 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 -0.032 -7.293 -8.316 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 -4.581 5.936 5.319 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 -0.858 3.927 0.383 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 -0.620 5.555 -3.163 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 -4.200 8.148 -13.018 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 1.566 10.380 -0.673 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 -14.941 -0.695 9.764 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 11.424 9.650 2.602 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 2.097 -2.745 1.377 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 5.685 1.471 -0.799 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 16.164 19.791 -6.639 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 6.074 2.672 1.804 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 20.824 -2.062 -24.039 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 25.469 1.556 1.420 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 -3.185 2.951 -0.613 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 3.409 11.909 -7.435 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 11.622 -29.541 22.725 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 0.500 3.493 2.318 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 0.149 6.000 6.809 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 -0.731 3.773 -2.358 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 -4.896 1.069 -2.719 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 11.549 9.447 -7.229 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 -20.967 0.256 15.329 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 -0.815 -3.154 5.757 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 1.560 -13.553 0.352 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 -1.380 11.347 -10.147 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 -7.124 -1.116 -7.302 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 -0.793 -9.947 2.793 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 0.599 0.719 3.767 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 -7.285 1.572 -4.236 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 -11.757 -6.533 2.183 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 6.436 4.278 -2.702 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 1.406 -6.499 -2.570 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 1.936 0.248 5.500 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 -7.296 6.951 12.732 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 -1.291 -4.509 5.251 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 -1.652 -3.435 4.538 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 0.308 -5.474 4.593 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 2.478 1.290 4.415 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 -3.874 -1.252 -5.284 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 8.946 2.593 14.098 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 0.470 -7.492 -2.558 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 5.813 34.112 -9.908 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 20.104 13.421 -11.816 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 -4.814 5.189 3.246 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 -10.005 4.735 22.043 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 -0.413 5.730 -8.167 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 7.173 0.951 7.132 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 19.528 -25.506 35.489 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 5.651 -10.347 9.207 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 -2.185 10.962 -2.182 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 3.832 6.841 10.327 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 -8.810 16.384 35.053 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 -5.796 6.433 -2.735 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 -10.595 3.416 4.225 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 -13.723 4.574 3.190 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 -2.549 11.193 0.852 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 -0.230 10.478 0.801 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 29.325 7.550 2.695 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 -1.451 4.255 -2.213 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 6.511 18.972 19.210 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 26.535 -17.710 8.827 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 5.201 -1.855 -0.283 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 15.123 -18.072 3.646 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 12.087 -28.239 -4.865 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 2.141 4.771 0.702 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 -15.522 14.483 -6.722 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 2.352 -6.243 -2.092 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 0.026 -7.031 -0.097 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 7.754 -0.995 0.618 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 1.062 -18.915 -1.108 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 -6.674 -3.011 5.370 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 0.894 -6.015 -4.761 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 -6.832 -0.781 9.398 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 1.364 0.062 -3.715 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 14.247 -0.819 -29.766 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 -9.669 13.945 -25.316 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 -0.944 0.356 9.533 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 6.309 -11.028 5.951 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 -9.054 2.770 -1.577 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 1.464 3.253 3.104 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 -9.580 -1.698 10.142 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 -9.618 -7.881 7.742 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 6.022 4.482 5.450 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 18.003 11.738 -5.764 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 1.867 2.710 10.996 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 3.691 -1.285 9.401 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 -8.682 -6.167 31.659 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 -0.857 -2.740 17.011 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 -2.703 -0.346 4.684 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 13.941 -3.332 -0.595 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 -15.048 15.615 19.269 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 -5.498 5.660 1.141 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 11.675 -10.165 -17.709 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 -3.835 -14.976 4.652 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 3.841 6.179 4.052 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 10.054 -5.521 8.965 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 -4.501 2.569 1.074 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 0.549 -2.982 -5.339 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 -6.504 -6.489 -12.521 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 21.431 -1.784 -10.209 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 1.553 0.266 -3.059 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 11.479 7.693 -15.314 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 23.517 -24.361 1.735 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 1.666 -4.733 -1.265 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 -4.508 -1.221 -15.171 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 19.292 -10.844 -0.610 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 7.581 6.176 1.617 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 22.489 -0.635 -0.425 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 -5.755 9.600 18.063 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 5.054 3.310 1.687 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 -1.833 0.009 -3.889 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 -4.632 2.604 -10.011 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 0.081 -6.392 5.559 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 -12.892 1.995 -19.807 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 9.164 5.493 20.762 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 0.011 7.475 -5.135 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 8.276 -12.125 -25.444 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 24.116 7.762 7.056 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 6.103 -1.135 -1.065 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 10.060 20.004 -7.107 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 14.846 -14.714 -2.602 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 2.132 -5.255 -0.899 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 -6.874 -11.485 10.404 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 1.932 0.159 -6.208 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 -4.756 5.239 -1.179 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 -26.278 10.043 -10.116 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 -8.403 10.060 24.379 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 -5.272 4.064 2.499 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 5.200 -9.765 7.983 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 -0.028 24.366 4.113 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 -1.460 3.686 -7.098 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 4.661 12.276 -6.163 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 4.156 -3.487 -8.891 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 -3.991 -1.983 -1.883 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 -18.412 -8.808 -16.476 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 -1.096 15.489 -19.590 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 4.452 5.249 6.987 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 24.328 24.423 -25.601 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 -17.486 -7.018 17.891 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 4.460 -1.014 1.871 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 0.679 -2.072 -3.079 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 3.553 3.468 3.250 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 3.040 5.551 0.699 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 7.532 -1.794 -4.643 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 6.078 15.871 -4.932 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 2.537 -4.056 -4.648 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 -5.329 -0.550 -9.170 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 8.535 -2.641 0.347 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 2.022 -0.159 2.954 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 -5.703 -18.488 -0.301 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 -2.123 -3.798 -1.414 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 -3.360 3.693 -2.664 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 -1.597 3.297 -3.808 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 2.090 4.321 -7.363 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 6.447 5.553 -2.535 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 16.383 34.221 -35.636 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 -2.062 -16.496 9.186 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 -0.865 3.593 -3.309 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 5.332 24.773 -1.485 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 1.210 1.741 -20.318 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 -2.856 -3.711 -4.815 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 16.223 23.864 20.979 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 5.275 25.580 -9.737 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 -3.838 8.939 1.224 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 -9.598 -3.797 -10.824 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 4.993 1.988 -4.066 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 -0.600 0.493 -1.817 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 0.409 3.405 -1.120 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 -2.790 -13.016 -12.995 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 -3.968 5.235 -7.186 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 4.403 3.823 -0.926 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 -3.700 25.858 1.427 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 -4.366 -5.412 3.236 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 -3.720 -6.288 7.355 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 -4.066 -6.712 12.162 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 2.685 -1.843 1.296 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 -4.283 -3.087 8.438 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 -11.049 -3.197 -2.303 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 1.317 -5.342 4.027 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 -11.148 -3.898 -4.883 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 -10.617 -4.656 -12.570 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 4.141 4.259 6.150 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 -5.933 -9.453 -21.594 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 -0.247 -5.010 -7.151 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 -4.837 6.765 5.131 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 14.109 8.466 24.874 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 -5.141 -1.943 21.849 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 -2.576 3.242 -2.060 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 5.995 -5.155 -7.970 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 7.300 6.353 17.388 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 -2.977 -5.447 5.317 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 -3.673 -4.370 3.857 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 -1.754 -6.018 4.904 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 1.418 2.345 1.966 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 -13.804 -0.689 0.071 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 -10.999 5.177 -2.970 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 0.776 -3.423 2.405 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 -9.554 0.308 -16.225 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 -9.788 1.920 14.255 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 -2.961 8.557 3.489 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 -6.200 15.565 7.928 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 -7.592 4.401 0.217 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 1.746 -3.442 1.996 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 11.073 12.296 -8.449 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 1.337 0.872 -7.631 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 1.281 -3.193 2.675 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 -35.365 -27.252 -7.229 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 -0.295 4.745 1.840 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 -6.433 1.060 2.965 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 -34.203 6.128 11.700 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 -16.996 -10.525 -12.667 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 -1.553 -0.780 5.809 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 -8.604 2.937 0.055 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 -12.012 -8.989 13.790 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 6.734 3.277 1.421 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 19.955 -6.668 2.662 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 9.296 5.739 -12.408 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 -7.155 1.719 1.627 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 -8.493 17.525 1.083 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 -16.869 29.979 -3.894 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 -5.418 -3.568 4.551 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 -8.604 -0.641 -7.120 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 -2.563 -4.923 13.388 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 -1.917 -1.569 4.404 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 23.434 33.323 -16.731 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 9.272 -5.661 -7.570 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 2.075 3.353 5.108 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 -0.467 -11.590 15.265 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 2.533 8.366 4.155 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 -4.829 5.726 9.302 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 -8.240 3.361 13.875 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 1.937 -6.543 -2.632 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 0.924 5.303 1.354 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 -0.884 3.469 -0.412 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 -3.536 6.632 -2.193 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 3.619 -2.023 -3.317 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 0.912 -17.739 -9.592 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 3.483 10.571 -8.330 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 -5.202 1.428 1.344 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 -12.445 -6.272 25.728 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 -11.534 29.694 -5.240 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 -2.874 -4.081 1.500 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 7.111 -9.295 0.753 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 -28.342 0.296 -2.242 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 1.664 -4.431 -2.891 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 -8.588 7.230 48.311 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 -17.573 -21.180 -0.221 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 0.290 1.169 -0.705 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 -0.130 0.077 14.825 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 -6.113 6.982 -29.474 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 0.571 -4.100 -2.341 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 -19.883 -11.471 -4.263 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 7.739 12.372 11.804 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 -1.257 -3.675 2.789 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 -1.679 -3.261 13.305 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 -2.026 1.891 0.997 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 0.523 6.737 1.897 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 2.246 -17.540 12.896 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 14.838 11.971 -0.584 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 4.758 1.370 1.413 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 9.315 -1.466 9.866 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 21.833 5.883 -16.626 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 -0.383 1.454 14.279 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 5.345 -9.463 11.189 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 9.692 0.350 -21.629 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 6.750 0.077 -1.214 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 4.066 3.746 -5.172 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 8.812 5.258 -0.080 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 3.207 -4.678 4.188 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 -12.283 4.224 -7.901 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 -39.933 21.021 -6.797 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 9.027 -3.756 5.755 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 20.872 19.123 -1.038 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 3.836 -12.378 8.254 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 -6.526 2.776 -0.326 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 -4.602 1.069 -9.773 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 16.701 -2.747 -16.730 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 -3.279 3.865 2.687 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 -7.902 -30.308 -2.171 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 -22.026 6.066 -5.488 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 -2.256 -4.863 1.807 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 3.506 -8.923 18.711 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 -5.149 7.173 -1.953 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 -3.169 -4.627 2.407 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 -1.282 -22.100 4.854 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 8.945 5.628 -0.427 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 4.331 -5.260 -2.831 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 -15.473 -32.464 27.777 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 -17.961 5.518 -0.338 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 -0.099 9.537 -4.839 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 -8.932 24.787 8.738 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 -2.502 -11.135 11.843 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 2.590 5.482 3.733 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 2.808 -2.796 12.648 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 2.674 2.393 15.326 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 1.135 1.386 -3.937 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 6.112 15.620 7.470 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 10.793 -16.460 -0.291 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 -2.549 7.432 -8.642 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 1.407 17.505 -1.582 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 19.483 0.067 -20.462 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 -4.157 3.833 -1.870 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 -16.632 8.384 5.935 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 18.365 -13.178 -5.159 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 3.212 -8.778 -7.081 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 -2.204 -42.109 -14.351 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 13.411 -15.123 -9.850 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 1.666 4.342 -9.697 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 13.736 7.508 -10.175 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 -9.633 14.975 -13.565 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 0.135 -2.832 1.020 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 -14.817 -20.698 3.339 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 -8.429 9.919 -17.419 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 3.700 -0.559 0.008 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 -7.609 8.569 9.469 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 3.201 0.408 -4.917 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 1.028 0.584 1.018 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 -2.183 -5.720 4.816 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 4.722 2.068 1.812 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 -0.617 -4.596 1.378 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 6.792 -20.886 2.730 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 8.030 16.758 1.038 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 3.239 -0.399 -6.021 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 5.264 -6.854 7.059 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 -2.721 5.133 -28.355 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 -0.759 -2.080 -0.633 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 8.427 -5.121 -4.455 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 0.171 7.470 -0.273 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 -3.534 -3.946 -4.458 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 -1.424 -6.908 -12.917 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 -7.683 7.021 20.664 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 -0.644 -5.284 -1.724 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 7.901 9.582 -16.545 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 -16.270 3.647 12.708 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 0.192 9.222 -3.112 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 5.308 -8.044 -31.095 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 -20.691 -2.322 5.098 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 -2.996 3.644 -2.831 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 -6.265 18.373 0.774 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 -2.186 2.084 -15.639 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 -2.488 3.121 1.859 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 1.860 -0.610 10.978 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 9.194 3.138 20.450 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 3.824 0.994 -8.269 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 17.840 -13.028 -2.588 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 -2.997 7.609 10.320 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 -2.830 -0.833 7.949 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 3.201 3.630 1.976 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 -10.031 -4.332 16.843 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 -0.110 -0.144 -1.391 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 2.172 -0.979 5.072 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 22.283 -2.968 5.432 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 0.865 -1.939 3.269 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 -0.465 -0.974 0.560 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 -7.516 -2.891 -6.267 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 -0.563 1.424 1.793 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 1.914 19.325 -5.968 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 -3.570 -18.810 -16.776 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 -3.988 -3.723 -1.868 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 -13.333 8.178 -0.767 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 -5.109 -8.357 -15.213 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 4.371 -0.158 0.617 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 7.554 -16.287 1.984 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 4.537 -9.812 -7.123 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 -5.173 1.124 8.240 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 -21.858 -12.584 4.185 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 6.996 5.024 -13.718 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 2.605 -4.227 3.524 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 -2.483 -7.307 8.977 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 0.255 8.848 24.172 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 -2.886 0.370 1.803 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 -4.527 0.839 -0.971 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 2.926 8.716 9.089 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 0.378 -2.498 6.499 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 -31.747 -1.015 -0.454 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 -12.917 -8.352 -17.286 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 -4.429 0.048 6.550 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 30.886 32.333 -2.066 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 -21.203 3.318 -5.749 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 0.291 -0.557 -6.599 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 4.769 11.525 6.732 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 6.994 6.862 4.646 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 -6.270 -1.399 6.193 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 -1.350 -2.555 5.204 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 -7.746 -1.097 0.664 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 5.840 1.266 -3.391 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 10.500 9.468 9.859 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 10.506 19.335 35.587 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 -3.281 4.188 -4.340 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 -1.283 1.106 -3.867 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 -3.784 4.866 -5.121 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 -1.268 -1.024 -0.921 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 1.720 11.685 6.056 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 3.101 21.556 9.441 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 0.231 10.922 -5.070 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 2.513 14.490 1.353 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 19.729 16.063 -3.452 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 2.298 1.073 -1.134 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 8.203 17.972 1.519 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 -2.545 -8.202 -19.235 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 -3.944 -1.951 -0.846 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 -6.677 -1.453 1.786 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 -3.526 -2.630 -4.452 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 4.370 2.612 4.934 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 -5.271 2.308 -0.201 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 2.253 2.954 2.169 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 2.856 3.507 -2.514 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 19.354 -5.900 -13.191 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 -9.176 19.350 1.967 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 3.606 -1.821 6.877 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 2.241 2.774 19.317 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 4.406 -12.569 7.595 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 5.937 -4.338 3.844 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 -18.590 0.525 -15.333 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 34.896 -4.016 -15.473 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 4.634 -4.261 -5.011 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 -8.355 -16.798 -15.436 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 20.162 -18.868 8.635 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 6.326 -9.182 6.316 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 -0.191 -6.552 -2.146 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 -8.693 7.928 -23.971 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 4.380 2.199 1.599 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 12.716 -18.805 -8.421 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 12.216 8.403 -9.351 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 -4.815 -0.534 0.140 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 0.020 -6.184 -4.341 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 -10.231 3.267 -14.614 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 -7.086 -6.195 -1.712 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 -11.254 -19.031 5.643 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 -9.153 -6.762 -8.249 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 -1.942 8.118 7.503 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 -6.878 14.101 11.694 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 -4.555 0.180 8.466 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 -1.232 -1.246 3.212 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 -17.671 -35.836 7.959 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 -2.304 -8.918 -3.567 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 -1.756 3.587 0.433 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 2.580 4.391 -5.673 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 -2.216 3.271 -8.433 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 -4.938 -7.986 -5.119 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 37.969 -0.336 4.642 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 21.900 -0.514 4.213 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 -0.896 6.548 -1.309 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 -16.396 19.928 -12.764 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 21.045 -14.949 12.766 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 3.015 -0.351 4.589 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 -5.201 -9.871 16.862 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 -3.056 4.273 -7.672 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 5.632 -3.943 -3.832 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 6.492 0.745 22.376 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 12.635 4.467 -0.049 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 2.229 4.837 -3.015 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 10.210 -0.668 -1.611 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 6.082 -2.972 1.633 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 5.158 -2.895 -1.016 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 4.139 -14.896 -5.912 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 4.559 17.095 10.273 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 -6.222 -2.910 -4.574 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 -19.656 -0.841 -16.165 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 -7.917 2.244 3.639 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 2.791 0.396 -11.293 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 -19.621 -32.564 -2.445 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 21.534 -3.581 4.128 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 -4.249 -2.046 -1.749 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 -4.638 2.727 -9.066 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 8.364 -2.483 -2.154 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 -2.146 -7.607 6.379 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 -6.809 -9.238 -11.986 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 -13.041 6.628 31.378 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 5.381 2.346 -0.637 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 1.971 -10.359 -7.649 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 13.979 10.793 -11.676 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 1.215 -0.260 5.139 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 -7.942 23.276 1.848 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 -4.599 6.222 14.472 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 1.430 0.078 -2.241 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 6.177 -7.307 -11.437 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 -0.189 12.150 -3.250 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 0.021 4.578 -6.604 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 -29.528 13.385 27.721 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 10.000 5.582 -11.180 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 0.851 -8.884 2.648 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 0.769 -9.486 1.586 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 0.497 -9.773 2.021 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 -5.464 -0.734 0.309 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 2.823 0.069 7.693 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 -11.306 4.412 5.797 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 0.087 -8.204 -0.812 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 -7.107 -34.617 17.011 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 2.539 5.779 2.444 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 2.461 -3.416 -5.896 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 -8.725 -8.080 -4.420 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 0.139 8.442 -1.601 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 -3.409 0.071 3.265 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 -3.792 -12.664 -0.811 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 32.680 -11.391 10.691 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 -1.090 -1.451 -0.304 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 -9.658 -7.538 20.333 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 3.113 -3.872 -9.147 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 0.123 0.658 3.711 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 8.592 -13.711 -24.816 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 11.321 -19.013 -2.862 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 3.191 4.503 -0.793 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 7.109 22.917 -0.851 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 -16.535 5.873 -8.550 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 0.547 2.743 -1.725 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 -26.137 -3.982 -2.409 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 -2.613 9.269 -22.867 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 1.070 0.986 -0.634 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 -23.782 -7.274 5.763 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 -17.815 -3.604 11.754 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 -1.093 -6.033 2.165 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 -1.519 -8.824 7.686 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 2.808 -10.484 -4.911 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 3.716 -0.187 1.501 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 3.848 -10.414 -13.644 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 -13.217 7.948 -9.730 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 0.160 -1.609 1.075 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 7.950 -17.827 3.270 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 8.050 10.428 17.201 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 5.085 -5.253 -2.089 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 21.858 -3.911 7.228 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 7.380 4.688 -16.924 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 6.931 2.926 -2.273 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 6.059 -6.761 -4.911 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 10.669 -6.773 -13.618 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 -0.510 -5.823 -5.490 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 0.016 8.222 17.889 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 1.496 -2.617 -3.201 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 -8.016 -6.584 1.700 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 31.137 -8.223 20.595 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 -14.866 1.825 -21.123 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 0.636 -2.423 2.974 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 -0.519 6.368 -8.949 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 -2.737 -0.338 -13.322 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 -4.116 3.122 -0.150 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 -12.223 -1.784 -4.216 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 -12.254 8.385 13.207 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 4.174 6.037 1.609 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 10.113 -4.597 0.888 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 11.042 8.400 10.139 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 2.846 -1.386 -0.185 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 -19.982 -10.947 3.107 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 -6.760 -4.166 5.009 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 -2.080 -0.830 0.582 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 -22.881 6.399 3.516 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 1.919 -2.230 -0.165 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 -1.764 7.055 -10.760 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 -3.097 5.809 9.788 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 10.230 -15.404 5.811 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 0.819 3.260 -4.039 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 7.781 11.609 -20.808 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 -7.923 -9.367 15.420 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 -4.100 0.850 -1.831 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 -5.041 4.674 -17.395 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 4.196 2.807 -6.626 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 0.123 -1.984 3.904 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 -1.615 -12.698 3.850 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 6.250 -5.940 24.317 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 -3.810 2.391 6.681 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 5.141 -21.154 6.920 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 -1.083 5.807 20.126 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 -1.551 -0.365 0.581 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 -3.778 -1.040 10.077 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 -27.490 3.803 -26.739 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 -1.678 -3.407 2.624 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 -11.470 0.123 -0.969 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 -1.863 0.830 -4.570 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 -2.136 3.040 -0.920 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 -23.503 3.812 4.963 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 -12.951 -16.552 20.093 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 -5.100 -3.943 2.954 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 -3.029 -8.852 2.588 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 15.932 9.139 2.372 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 -3.556 -0.008 3.625 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 -3.564 11.052 -21.991 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 7.974 10.631 18.699 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 4.631 -7.174 1.480 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 -4.540 4.541 -5.079 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 0.295 -15.971 9.837 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 -0.299 -2.522 -8.519 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 3.374 3.611 -8.519 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 -0.260 -5.001 -3.776 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 3.176 0.509 0.903 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 10.276 19.736 -9.520 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 -9.260 -21.457 9.351 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 2.340 8.717 -10.520 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 15.694 20.629 0.762 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 3.499 8.183 -11.707 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 1.356 0.015 -2.320 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 4.021 4.957 11.195 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 -25.732 -15.315 -23.787 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 2.161 1.000 2.682 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 -14.531 -8.353 6.439 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 24.996 4.179 -8.026 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 -5.714 4.149 -1.223 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 -15.483 -13.707 -6.691 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 -7.482 1.070 -10.300 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 -5.315 -1.005 -0.121 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 16.161 -4.939 -4.974 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 -8.151 25.330 0.407 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 -0.056 -0.142 5.389 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 1.904 -22.753 0.483 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 3.447 -18.388 14.932 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 -0.352 0.230 2.567 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 -7.101 -8.138 4.984 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 -0.068 -2.586 0.812 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 2.283 0.332 -0.836 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 -0.059 18.218 -20.306 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 4.431 -4.086 6.195 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 5.172 2.171 1.430 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 -8.034 -4.373 -2.163 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 -3.068 0.891 -0.322 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 5.140 0.853 -2.342 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 -10.438 4.735 -1.943 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 5.135 -13.863 -3.319 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 3.097 -4.141 5.832 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 -11.387 14.616 17.653 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 -19.491 8.040 20.512 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 -1.056 6.593 5.540 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 1.512 0.122 -10.720 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 1.531 10.203 23.887 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 -0.564 -3.704 1.966 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 -18.739 28.155 -1.162 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 20.671 14.707 2.303 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 4.877 1.053 -1.549 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 -16.771 15.668 -2.708 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 -14.498 -11.954 -17.111 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 -3.631 1.650 1.608 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 -5.021 2.938 -1.332 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 2.841 -3.547 -0.128 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 -5.574 6.479 -1.388 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 22.704 -25.701 -9.266 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 -15.932 -1.581 -9.823 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 -6.389 -2.930 6.321 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 -8.605 3.893 -7.151 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 -19.557 -9.421 7.923 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 -4.438 -4.385 -4.501 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 -5.056 -2.724 -5.797 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 -8.246 21.853 -18.080 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 -2.985 -3.369 2.179 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 30.668 -29.574 -21.611 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 -0.265 -23.150 10.093 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 -4.644 4.888 6.440 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 1.307 -2.090 -3.652 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 -4.179 9.778 -20.254 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 -1.506 -7.539 -3.265 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 7.524 10.321 -22.774 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 -6.999 -4.682 -10.049 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 0.219 1.422 10.608 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 -17.458 18.974 7.495 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 1.497 -12.352 18.904 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 -0.508 -1.830 1.861 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 -6.349 -11.070 -1.169 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 -1.639 6.643 9.971 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 4.523 1.467 2.871 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 -11.306 -8.615 -10.540 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 -4.874 -3.814 6.698 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 1.861 3.422 1.247 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 -7.456 -7.765 1.594 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 1.897 -32.910 -14.653 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 -2.420 0.131 -5.169 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 -18.221 3.663 -12.750 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 -0.542 11.485 -3.073 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 -0.574 -0.418 0.026 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 -4.124 -5.492 3.532 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 -0.346 4.905 6.152 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 2.274 0.170 3.849 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 -2.910 9.107 -2.220 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 5.683 -5.949 18.587 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 -2.746 -3.834 -2.231 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 -12.519 -13.370 7.057 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 8.745 -10.346 -4.676 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 0.876 2.665 2.289 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 12.369 -10.236 26.241 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 -14.693 2.054 19.175 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 -2.195 -1.415 -6.283 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 -1.758 -1.037 -9.368 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 10.287 9.676 -14.875 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 0.779 7.344 0.874 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 8.591 -15.312 18.115 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 -25.650 15.675 10.972 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 -4.179 -4.786 0.933 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 -2.736 -18.917 7.286 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 -8.251 -0.181 4.885 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 3.527 -0.848 -1.522 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 5.794 5.882 -9.146 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 -21.493 5.176 -13.573 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 0.688 6.420 -0.481 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 1.467 -3.253 -8.071 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 -3.954 15.374 0.680 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 2.462 2.623 0.715 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 -3.990 -15.728 12.742 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 6.509 -0.434 -20.775 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 -3.121 -2.770 -3.503 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 9.123 -15.057 3.607 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 16.884 11.872 16.154 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 -1.686 5.254 1.245 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 -1.905 12.619 1.501 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 -3.730 -3.871 2.205 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 6.600 -2.316 4.888 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 0.291 -5.856 3.046 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 10.890 -0.313 2.202 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 0.138 -3.937 -2.139 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 4.489 -2.329 -10.869 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 5.159 -5.100 -11.731 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 -1.390 10.195 -2.090 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 3.800 15.572 1.151 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 -23.830 9.940 -18.351 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 1.992 -4.495 -5.809 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 3.600 -8.199 0.536 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 -9.150 -9.569 -1.454 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 6.175 6.090 1.939 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 3.499 25.683 -1.974 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 -7.567 -7.593 -2.827 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 3.985 -5.634 -6.581 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 0.612 -8.841 -9.096 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 12.207 5.824 3.333 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 -1.522 0.520 2.613 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 -7.770 -0.137 17.970 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 11.310 -1.184 -27.901 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 4.653 1.355 -2.613 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 -9.902 2.630 -6.115 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 25.661 -3.780 -17.998 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 -3.117 -0.272 -3.770 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 24.305 -5.236 -2.186 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 -11.105 -25.638 4.687 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 -1.521 -3.919 -3.446 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 19.617 -12.172 16.557 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 -2.991 -2.425 -9.039 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 2.170 7.320 4.728 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 -0.360 18.620 2.065 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 18.052 10.535 -0.101 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 -1.284 -5.771 -1.286 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 12.671 -21.933 -15.930 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 -14.840 -19.300 10.913 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 -4.135 4.879 1.331 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 7.107 7.284 -10.847 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 21.778 14.588 -12.289 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 -1.201 -5.126 -2.729 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 6.298 3.090 -13.464 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 -13.138 -3.216 7.038 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 -0.685 0.911 7.327 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 -8.593 6.657 -6.044 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 6.558 -4.480 2.790 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 -6.474 -2.624 3.333 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 -15.611 15.160 -1.242 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 -19.428 3.163 -11.156 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 1.241 -6.275 2.524 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 -3.178 -5.074 -6.306 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 -1.631 21.626 -1.403 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 3.337 -2.367 -0.333 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 22.448 -4.880 11.350 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 -16.504 -7.719 15.342 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 -4.798 0.925 1.507 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 20.245 -6.195 -1.205 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 5.751 -12.332 1.638 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 -0.372 1.261 7.394 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 10.331 5.031 -3.359 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 -11.268 1.148 -3.719 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 2.473 4.041 5.883 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 -15.593 -3.997 -4.382 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 -17.253 8.545 0.611 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 2.528 -8.144 -9.211 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 -9.374 -11.825 -14.558 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 -17.816 9.748 -16.316 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 1.861 0.360 -4.717 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 6.928 11.424 18.726 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 -3.928 14.900 12.428 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 0.406 -4.043 3.799 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 -7.413 1.127 16.527 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 -3.797 -6.866 11.962 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 2.613 5.194 8.109 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 8.645 9.091 5.745 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 2.779 -6.229 -18.265 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 7.022 -3.748 0.030 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 28.992 -5.412 1.153 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 23.262 -0.100 -6.300 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 -0.957 -3.252 -4.491 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 0.424 22.538 -7.157 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 -11.046 -21.630 3.174 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 -0.582 -1.070 -4.063 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 1.003 -3.501 -0.165 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 7.433 9.492 -4.324 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 4.811 1.185 -3.681 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 25.498 9.070 -13.884 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 0.164 -6.100 -20.405 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 3.416 0.418 3.735 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 -21.313 -2.947 6.535 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 -12.109 -1.954 9.568 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 -0.628 0.464 -3.573 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 3.200 -4.001 1.893 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 3.223 -6.489 4.105 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 -0.196 7.555 1.406 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 -7.571 13.113 12.005 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 -4.422 2.686 -5.410 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 1.562 -0.203 -2.761 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 -24.174 -6.269 -2.124 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 11.565 -18.542 14.114 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 6.431 -2.124 -1.043 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 -9.339 -2.155 16.039 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 3.974 -2.877 1.835 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 0.234 -3.460 2.196 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 -27.926 -5.362 -3.829 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 4.398 10.174 34.170 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 5.968 -2.924 -4.134 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 -6.397 -2.487 0.297 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 17.340 -8.079 -0.467 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 -2.224 -0.359 -2.123 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 15.315 -28.834 8.573 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 2.965 13.509 -7.201 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 1.781 -3.059 5.039 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 0.373 3.107 8.460 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 12.576 -3.430 16.770 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 0.298 0.861 2.240 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 -5.069 -1.064 5.820 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 14.839 19.187 26.778 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 7.389 1.617 -5.357 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 -8.773 6.780 13.376 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 19.764 -26.690 -5.181 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 4.072 -3.875 -4.440 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 10.509 -2.347 -13.373 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 -5.584 -9.176 6.435 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 4.954 -0.525 5.026 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 4.733 15.801 -1.995 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 8.436 -18.219 12.779 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 2.099 -3.385 3.369 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 -1.469 -7.276 -13.206 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 0.991 -3.517 -1.071 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 1.309 -5.782 -4.362 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 2.910 -3.937 -3.515 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 -4.635 -1.932 8.356 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 -2.833 1.166 7.332 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 -20.014 -31.335 11.184 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 7.542 -6.962 -15.912 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 0.336 -0.017 1.997 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 16.654 1.633 -3.501 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 1.551 19.885 -7.143 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 2.697 1.396 5.757 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 -14.616 11.880 -24.259 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 -3.083 29.487 -3.502 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 -5.219 -7.906 -2.314 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 -6.842 -1.541 22.123 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 -6.546 -7.236 2.616 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 3.901 4.472 0.032 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 -0.616 5.829 8.272 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 7.261 0.899 -5.088 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 -6.415 1.809 -2.439 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 -13.190 3.924 5.128 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 -7.121 -8.194 -4.295 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 -2.385 2.809 -1.629 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 -19.670 -11.413 -19.980 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 9.317 12.216 -16.849 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 -0.358 6.088 2.396 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 1.001 12.006 1.715 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 7.798 24.388 -2.835 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 0.139 -4.225 2.321 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 4.823 6.255 10.226 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 3.789 -7.555 1.555 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 4.312 6.121 2.114 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 -4.210 3.488 5.753 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 3.733 6.186 -6.559 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 4.359 -6.162 -3.182 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 -1.306 5.514 -6.707 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 -5.647 -20.304 -1.206 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 6.338 3.891 -10.768 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 -7.028 13.830 -29.432 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 -7.227 12.951 3.281 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 2.275 2.992 -2.598 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 0.641 -1.193 -6.214 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 10.682 2.337 -4.412 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 -0.646 -3.318 6.091 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 6.777 -4.488 8.213 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 -25.355 32.723 -39.635 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 -8.015 0.146 -3.325 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 -12.906 17.842 -2.721 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 9.993 -4.401 4.899 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 1.468 1.707 -4.673 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 9.406 19.935 -7.830 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 -33.923 22.479 21.650 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 0.508 -0.941 6.732 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 9.834 16.845 3.098 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 -22.909 -24.017 -19.272 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 8.683 7.003 -3.965 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 7.858 7.217 -4.820 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 -22.129 15.255 8.431 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 -8.516 -2.378 -7.704 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 9.423 3.486 12.900 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 -25.128 -22.384 0.612 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 -0.769 5.585 -3.200 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 8.007 -15.942 14.648 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 -2.731 -10.533 -2.379 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 -5.654 6.077 -2.165 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 26.735 14.001 -16.859 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 8.786 -8.085 19.630 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 -3.152 -4.293 5.028 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 -8.037 -5.645 8.138 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 -11.441 -8.447 12.091 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 -2.645 4.314 0.696 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 -9.695 -16.046 11.848 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 -24.286 2.658 -11.724 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 0.224 1.617 1.938 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 -4.885 7.642 12.134 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 37.253 -15.151 15.384 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 -2.506 -6.091 -7.595 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 -0.669 -21.926 -5.631 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 4.895 -10.656 -1.683 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 5.130 1.102 7.178 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 -10.125 0.615 13.993 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 -14.129 9.094 20.596 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 4.828 -2.329 -5.090 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 5.232 -0.191 -2.729 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 5.388 5.781 -7.440 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 -4.443 0.756 3.731 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 15.521 -2.439 1.431 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 1.233 -1.688 -0.971 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 9.925 -6.130 1.293 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 13.184 -5.644 0.385 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 4.016 -1.498 -7.818 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 -4.906 -0.795 2.073 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 -18.703 17.313 -14.966 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 1.115 -0.114 10.292 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 1.868 -1.302 1.006 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 5.799 24.758 -15.549 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 -23.042 5.902 17.216 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 -0.359 -0.844 2.676 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 6.134 -14.506 13.364 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 23.191 -2.992 -17.432 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 1.474 2.648 0.356 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 22.698 0.363 -8.049 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 46.161 -2.737 -17.963 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 0.879 5.586 1.474 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 -11.791 14.213 21.609 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 -0.591 16.861 16.541 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 -1.538 8.057 0.011 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 -14.326 8.408 -1.750 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 11.554 5.147 -17.375 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 -0.347 6.100 -5.847 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 2.830 15.692 6.905 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 1.877 0.189 13.870 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 -3.438 7.632 -2.017 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 3.587 -21.784 3.027 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 -0.710 -5.758 -21.972 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 1.982 5.643 -0.708 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 -7.426 0.477 12.687 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 9.515 12.471 -11.933 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 -1.111 3.438 -2.917 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 4.697 9.379 -4.511 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 -5.265 6.130 4.358 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 1.005 -3.182 -0.651 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 32.207 -3.941 44.607 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 -2.346 -22.640 -22.643 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 0.176 -5.393 9.664 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 6.256 -5.379 2.282 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 -3.610 -4.124 14.821 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 -0.608 -2.350 11.778 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 -6.306 11.323 -13.396 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 -3.687 2.306 5.416 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 3.575 -8.868 -1.104 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 3.785 -5.955 4.460 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 -7.362 -8.117 -6.851 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 -0.670 -1.895 -11.170 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 2.151 -11.644 -4.412 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 -0.442 -15.000 2.395 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 2.418 3.072 1.740 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 22.390 -6.105 2.018 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 20.604 1.311 9.703 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 -2.126 0.453 5.315 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 -3.778 4.710 -5.378 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 -1.051 -0.817 2.291 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 -0.193 -2.571 -1.866 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 -12.300 2.759 -8.295 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 -3.661 -0.070 -4.229 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 2.848 0.493 7.966 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 7.808 -4.982 11.857 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 -3.676 4.077 6.019 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 -3.628 6.256 1.961 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 -1.591 0.877 -19.479 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 14.801 4.872 11.836 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 -1.492 2.355 -1.174 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 -0.877 -11.633 -8.268 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 -2.441 3.872 -0.393 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 5.630 1.440 1.298 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 -9.667 7.889 12.931 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 15.779 1.485 -5.573 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 -3.400 -2.152 -3.459 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 -2.654 -10.484 -20.225 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 -8.030 -2.583 -11.317 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 0.714 -1.831 -3.780 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 13.352 5.113 2.525 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 -15.419 -17.955 -14.905 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 -0.610 -6.721 0.622 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 -11.703 -19.862 -3.505 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 -0.369 8.391 6.275 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 -1.247 3.598 -10.749 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 -4.494 -7.402 5.135 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 -15.354 19.663 -35.651 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 5.626 3.294 4.965 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 2.101 1.413 -0.800 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 -14.913 7.563 8.654 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 5.776 -1.710 -3.420 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 -14.673 -14.994 21.383 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 -2.378 33.176 -0.899 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 -5.668 -0.244 -1.223 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 10.946 2.322 3.925 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 2.754 5.550 3.882 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 -0.430 -0.766 2.587 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 4.593 5.259 2.063 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 3.353 6.215 -0.759 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 2.317 1.347 -3.917 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 4.121 -17.214 3.533 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 3.227 0.989 -7.079 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 1.149 -3.211 -5.868 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 -11.993 -7.783 15.288 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 -2.743 1.962 -0.996 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 -4.011 -0.086 3.820 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 -5.638 -3.267 1.683 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 -9.451 7.686 -12.878 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 2.774 -0.589 -5.554 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 13.478 -6.756 3.275 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 20.149 10.062 9.474 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 -1.211 -1.709 -1.914 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 4.472 9.197 -11.172 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 -0.569 2.918 -4.297 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 -3.461 -6.056 3.044 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 -21.806 -23.371 -28.725 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 -14.532 -13.795 -16.167 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 4.659 -0.959 4.266 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 -10.734 5.537 -4.848 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 18.494 -9.636 10.170 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 -5.802 8.205 -0.696 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 -6.755 10.311 10.130 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 -18.734 -4.786 -19.649 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 6.852 -8.618 -1.173 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 19.097 12.136 0.026 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 5.006 -6.515 -2.183 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 -6.067 -0.477 5.733 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 -10.087 -15.335 -8.998 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 -7.129 6.374 11.935 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 -3.083 3.944 -5.607 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 -0.346 7.221 -3.603 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 -3.544 -0.118 -2.419 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 -3.770 -2.164 0.229 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 -8.591 6.309 8.702 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 -10.492 0.237 22.256 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 1.971 2.823 1.077 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 -18.769 11.266 8.948 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 1.575 19.712 -9.882 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 -1.398 -2.898 -3.720 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 -4.032 -14.739 -15.096 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 9.801 0.407 -10.400 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 -3.323 1.402 6.526 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 -5.465 -5.941 -6.067 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 -10.723 8.414 10.213 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 -5.740 1.082 -1.863 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 -7.386 -4.204 -23.183 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 0.133 -11.923 -38.606 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 1.437 12.510 0.341 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 -8.021 9.259 15.556 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 11.247 -1.467 -4.190 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 3.004 -1.146 4.457 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 4.852 -6.131 -3.240 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 25.033 -18.972 3.804 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 9.641 7.922 -6.682 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 36.760 -5.731 10.816 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 20.931 11.607 17.469 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 0.156 0.242 -5.955 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 -2.144 -0.541 -20.065 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 -3.309 4.073 -5.166 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 -7.831 1.873 0.509 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 1.461 -7.729 -3.713 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 27.813 -4.708 -12.325 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 -1.275 3.552 -0.171 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 -5.086 11.169 -12.134 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 2.008 -8.185 12.661 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 2.174 5.539 0.339 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 9.722 -5.629 5.898 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 -8.347 17.491 -11.187 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 -2.592 3.912 -1.740 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 1.979 5.333 -0.905 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 -1.208 -15.372 6.332 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 -1.767 1.214 -2.416 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 -7.108 2.652 -3.175 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 -2.526 -3.261 -1.783 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 6.304 2.876 5.698 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 -12.631 -7.729 19.547 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 11.093 -24.945 2.495 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 -5.653 -4.780 -0.363 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 -2.439 -1.428 0.092 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 -1.142 -8.311 1.516 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 -1.318 -0.017 -1.261 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 -7.296 -5.234 13.472 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 -13.423 8.573 -2.266 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 -1.287 -1.639 3.249 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 -13.021 -5.950 -44.255 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 -10.342 35.451 6.506 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 0.414 -2.828 0.161 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 -40.141 2.789 16.283 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 -24.923 4.757 -31.361 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 -3.145 -3.684 2.145 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 12.171 7.130 -8.446 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 6.532 -19.225 0.900 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 -3.109 -1.609 0.144 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 5.508 19.329 -8.553 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 -4.611 -12.763 -3.774 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 6.033 -9.274 4.798 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 0.708 9.754 -2.924 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 6.229 -7.733 1.539 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 -1.613 -5.345 -9.353 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 2.954 0.848 -14.258 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 3.130 11.404 -22.482 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 1.765 -2.107 7.056 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 29.306 -22.120 -16.229 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 -10.485 -7.425 9.395 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 -3.335 -9.496 -1.618 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 11.105 -34.247 11.827 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 3.179 4.127 -1.381 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 -2.289 0.792 -3.165 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 -12.907 10.622 -8.469 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 -4.059 6.614 1.426 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 -6.334 -1.649 -8.889 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 -10.471 -6.878 -23.374 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 -0.564 -12.893 -1.006 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 -1.514 -6.252 -5.580 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 12.311 8.422 6.500 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 -3.690 9.380 -2.316 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 -0.897 -1.106 -1.312 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 -11.500 -24.514 -13.977 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 -3.222 -5.839 -1.673 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 0.424 -0.719 11.198 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 -7.199 -3.597 2.201 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 -3.674 -7.882 4.138 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 -2.383 0.846 3.131 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 0.970 16.543 -3.330 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 -17.991 2.774 1.014 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 -7.431 -3.221 -1.167 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 -13.686 -2.206 -15.095 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 10.333 1.954 5.587 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 2.672 1.258 3.102 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 -3.449 -5.633 -12.748 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 -13.786 -3.445 -3.254 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 1.113 -6.640 1.127 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 -0.822 -12.641 -5.511 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 -12.254 20.107 1.694 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 -0.417 -4.419 1.527 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 7.670 15.570 -22.644 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 -10.193 4.562 -0.134 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 0.288 -3.187 -0.251 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 -11.560 -18.292 9.329 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 -15.677 1.709 -1.996 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 4.808 0.332 -1.539 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 2.345 28.974 -0.436 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 0.128 6.535 -4.146 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 -0.913 -0.179 -2.407 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 15.143 -0.948 10.847 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 -15.293 13.692 8.580 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 2.903 4.171 -0.636 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 16.189 -3.447 -0.084 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 10.874 -6.897 8.812 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 8.545 -4.000 -3.859 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 4.638 13.075 1.668 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 22.267 16.850 -11.679 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 -1.416 2.631 -2.773 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 10.643 -6.415 -0.945 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 -6.111 17.253 9.397 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 2.164 0.757 -5.897 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 -11.366 4.887 -12.490 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 30.582 11.288 -9.291 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 6.420 1.563 3.699 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 8.379 6.504 12.523 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 9.521 5.993 11.868 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 2.510 2.890 -2.850 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 2.209 10.540 -12.231 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 11.332 -4.662 -4.996 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 -0.727 -3.197 -6.678 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 -8.701 -9.762 19.767 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 7.470 11.915 -10.007 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 -9.834 -2.699 9.386 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 -10.446 -6.328 8.978 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 -4.355 -1.462 -0.223 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 4.546 2.278 -1.615 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 18.368 24.594 16.288 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 -2.210 27.019 7.990 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 -3.688 0.810 5.578 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 3.034 5.722 10.244 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 -6.472 9.313 1.819 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 -7.208 6.604 4.238 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 -10.665 -44.198 -31.863 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 -9.179 -12.697 11.827 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 1.982 -0.058 -0.388 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 -6.407 18.068 -2.185 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 18.210 12.592 -2.442 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 0.658 8.377 -4.025 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 19.746 8.000 -0.246 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 3.839 8.480 -1.735 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 -5.307 3.485 0.313 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 -1.792 -10.632 -6.127 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 -1.208 12.057 1.757 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 4.733 6.606 0.900 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 -18.535 -7.396 4.390 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 10.029 -22.684 7.211 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 3.451 -3.293 7.149 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 2.211 -1.106 2.675 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 -8.352 7.564 -8.997 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 4.436 0.138 -3.660 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 4.885 -4.634 -4.145 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 -16.021 -5.126 10.791 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 -0.149 -2.161 -5.777 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 -14.550 3.053 3.692 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 -1.037 -2.440 -9.339 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 -3.006 0.724 -2.129 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 12.357 9.731 -11.149 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 2.088 -4.998 3.214 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 -2.091 -0.385 -0.488 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 -10.529 -22.841 -11.714 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 10.385 25.614 12.300 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 -0.379 4.392 0.152 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 1.027 -1.102 12.332 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 -4.308 5.386 -6.428 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 5.046 2.255 4.989 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 9.735 11.028 -5.175 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 -8.346 -2.732 -0.167 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 4.493 0.419 -0.461 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 -6.232 3.796 6.734 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 4.864 10.394 -8.573 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 4.455 1.472 1.267 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 13.947 -11.459 -11.472 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 -6.239 20.326 8.010 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 -0.275 4.156 -0.510 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 0.781 -1.335 -1.759 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 21.452 -5.268 16.912 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 -1.188 -4.033 1.159 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 -11.711 12.938 -1.471 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 -27.509 -21.802 19.526 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 -8.717 -5.082 5.135 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 -20.633 -0.173 8.565 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 -4.907 -5.337 19.226 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 0.719 3.266 1.768 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 1.144 9.288 -5.939 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 3.198 0.635 -5.168 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 -4.550 -3.237 -0.696 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 9.414 -1.951 -13.663 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 1.682 7.855 12.339 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 7.627 6.834 -0.175 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 -7.981 -1.890 10.388 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 -16.905 4.410 -19.911 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 -7.556 3.507 5.572 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 -5.827 -9.175 6.699 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 3.584 6.362 10.648 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 -2.705 0.586 1.752 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 -4.301 5.402 9.266 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 1.158 1.187 13.882 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 2.389 -0.426 -7.324 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 33.987 -9.680 26.593 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 -14.388 4.566 13.680 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 -8.126 -1.838 6.118 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 16.063 -13.275 23.606 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 -1.275 22.165 -2.334 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 -1.261 1.609 2.691 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 2.699 19.403 -25.997 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 -10.077 -6.693 19.245 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 -0.240 -3.646 0.124 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 18.470 -1.553 9.692 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 4.526 -15.487 -14.493 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 -7.159 2.670 6.555 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 -20.643 -16.310 19.854 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 32.580 -7.157 2.553 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 5.273 1.090 -1.507 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 -10.228 6.829 -3.066 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 19.529 15.304 3.319 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 -2.431 2.050 -0.506 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 42.272 -11.793 -12.873 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 -16.167 -31.585 28.297 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 -3.257 0.761 4.709 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 11.179 22.068 -1.230 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 13.334 0.870 3.430 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 1.059 -0.908 -0.030 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 -25.159 -15.415 -26.854 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 -19.731 -0.936 0.349 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 -2.151 -1.525 -0.965 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 -10.188 -19.036 7.758 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 4.848 -5.332 -12.523 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 -1.920 5.825 -2.138 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 -3.386 -4.453 -11.607 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 -2.012 21.081 13.327 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 1.179 2.702 -3.712 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 12.033 -12.352 8.082 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 17.224 -10.699 -0.925 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 -1.068 -5.909 1.612 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 -4.403 5.424 5.858 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 0.965 12.297 5.380 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 5.461 3.370 -2.354 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 5.526 1.452 -5.716 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 1.167 3.442 -2.628 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 -0.657 0.233 -5.697 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 -6.168 -1.469 -0.258 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 11.365 19.559 11.715 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 6.622 3.039 -9.944 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 0.313 2.941 4.847 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 11.534 3.681 7.168 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 -6.308 -5.039 3.613 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 -33.172 13.625 -22.319 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 2.816 -11.655 11.225 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 -3.983 -0.605 -2.630 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 -4.815 -9.208 -1.503 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 1.074 2.970 6.145 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 -4.501 2.579 -2.498 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 -10.630 14.972 -0.799 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 -5.645 -3.900 6.449 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 0.732 -0.083 10.155 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 16.626 -1.764 2.063 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 12.380 0.524 -1.417 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 -1.457 5.819 2.214 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 1.477 5.386 3.054 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 -16.626 3.555 -6.496 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 4.250 0.164 0.481 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 -16.047 -4.984 8.829 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 -0.892 -14.107 -7.852 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 6.076 -0.199 2.513 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 12.132 11.289 18.018 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 -2.463 14.035 -6.351 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 -3.649 3.941 1.708 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 -14.631 -29.822 6.024 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 24.763 4.264 23.985 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 -0.516 5.332 -0.196 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 10.109 -3.507 3.529 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 -15.386 -1.810 -12.051 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 4.779 9.452 1.940 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 17.232 -8.803 -17.192 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 6.587 9.950 8.466 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 7.112 2.566 2.221 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 -17.631 8.079 33.711 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 2.345 11.222 6.189 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 2.777 3.769 4.266 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 1.035 7.805 1.806 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 6.358 -3.879 8.257 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 1.224 3.266 -0.042 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 -3.790 5.644 -7.627 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 1.039 9.100 7.234 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 -5.622 -3.128 1.344 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 1.461 23.963 18.357 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 3.744 8.354 -21.538 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 -6.970 -8.693 3.025 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 -2.990 6.925 14.185 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 -27.917 -17.903 -26.378 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 0.103 4.221 0.578 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 10.676 8.514 -1.545 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 -5.403 -0.316 1.900 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 -2.697 -1.765 1.298 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 -0.172 5.648 -4.318 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 -4.981 -17.206 3.228 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 3.755 0.508 1.987 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 6.553 -37.693 -6.040 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 14.463 2.706 22.567 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 8.894 -6.479 0.397 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 -3.956 -12.642 -1.239 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 -24.865 -15.102 1.649 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 -5.925 -4.212 -2.642 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 -1.884 -4.478 0.777 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 -14.665 -0.536 -0.278 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 -0.731 1.383 -1.673 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 -10.973 -5.307 13.943 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 -0.129 3.001 16.516 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 0.196 -2.194 4.422 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 9.137 0.271 -11.640 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 -19.320 -14.590 33.563 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 -3.432 3.608 -6.520 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 2.965 7.083 -2.799 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 -6.536 5.925 0.338 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 -1.231 -1.410 1.774 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 8.912 -26.964 3.914 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 3.147 -12.653 2.883 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 -7.454 3.504 -0.729 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 5.502 -4.747 10.962 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 -5.612 -8.817 5.854 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 -0.710 -0.798 -1.000 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 -2.001 4.945 -5.168 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 -1.974 1.491 -2.564 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 0.080 1.263 0.846 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 3.428 -14.661 18.480 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 -18.737 4.233 6.132 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 0.393 3.618 -5.148 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 8.440 29.827 1.109 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 9.695 22.483 -32.757 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 2.392 8.547 -0.379 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 -3.373 -4.449 -15.053 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 16.047 17.236 -27.143 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 9.998 0.603 2.084 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 15.478 0.629 12.278 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 17.902 -1.756 10.829 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 -9.786 -4.003 -1.522 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 -5.595 -11.643 7.980 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 5.131 13.023 7.594 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 -2.769 -1.373 -1.681 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 10.757 -3.374 -3.500 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 -15.058 -0.682 -6.015 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 -3.941 -6.632 2.596 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 1.622 6.810 6.928 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 -2.618 -14.284 -4.347 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 9.343 0.470 -5.058 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 11.688 1.684 -14.493 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 6.571 1.197 11.255 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 -3.766 1.445 4.379 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 -21.856 -37.236 3.117 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 -6.636 9.652 -18.380 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 -7.315 -2.632 -4.450 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 -18.483 13.318 6.859 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 6.797 13.133 -16.901 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 -3.688 3.449 4.409 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 -1.183 3.245 8.653 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 0.914 3.345 11.875 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 -0.550 3.730 1.184 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 -2.224 1.664 0.976 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 8.996 5.730 -8.085 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 3.359 -1.171 0.151 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 -1.882 -11.851 20.156 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 -14.887 22.469 -23.099 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 2.011 -3.735 3.489 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 12.163 34.808 -12.614 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 32.807 -32.167 -9.295 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 -3.780 -0.354 1.857 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 12.013 5.575 1.328 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 -0.964 -3.752 2.067 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 -5.493 6.923 -1.016 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 -15.417 23.169 -2.741 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 -4.587 -23.479 7.929 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 -0.246 -5.272 0.160 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 -4.951 -3.373 9.430 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 -4.980 0.386 -6.076 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 1.262 -8.194 2.257 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 4.425 0.758 2.192 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 11.800 -1.483 5.191 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 5.596 1.253 6.376 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 10.274 -9.922 21.246 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 6.806 5.115 -1.670 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 -3.489 3.058 1.932 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 10.626 0.920 7.729 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 -5.778 18.475 5.621 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 -8.076 -4.259 -2.728 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 -6.572 -2.421 -6.361 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 -23.338 -9.829 -31.832 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 2.554 5.845 -0.272 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 5.190 6.028 -26.949 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 -9.053 -7.424 -10.339 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 -3.294 -1.256 0.105 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 6.312 -13.966 13.069 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 9.283 -12.729 -3.413 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 2.705 -4.735 0.844 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 9.111 -8.529 7.738 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 -34.274 -4.838 -0.365 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 -2.614 4.102 2.704 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 0.361 -22.900 18.478 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 17.214 16.242 -1.533 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 3.013 1.311 -0.911 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 17.705 12.864 -10.628 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 6.632 3.959 4.484 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 7.900 4.810 6.538 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 15.712 7.492 12.123 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 12.716 21.022 36.307 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 -2.210 8.292 4.825 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 8.068 20.559 -7.810 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 2.813 -5.382 3.511 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 3.942 3.579 3.124 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 39.507 -39.918 -14.112 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 0.795 3.994 -0.458 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 -2.457 6.600 -1.961 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 -4.908 2.824 -6.089 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 -2.822 2.307 -9.337 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 4.102 -0.856 7.507 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 3.079 -16.442 -0.919 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 -3.709 1.596 5.233 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 -2.813 -0.092 4.112 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 2.450 -0.858 14.331 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 -16.017 2.284 0.150 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 -2.346 -1.524 -2.209 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 1.170 1.270 9.237 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 32.014 36.037 -17.485 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 -0.843 -1.472 -3.070 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 -34.109 -29.094 19.979 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 -16.688 -10.760 7.605 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 -11.085 1.112 1.936 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 -13.691 2.316 -1.667 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 -11.375 -0.993 4.623 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 1.466 -3.345 7.772 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 -3.135 -2.313 -40.582 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 -2.874 9.351 7.452 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 6.865 -11.968 1.627 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 2.886 -2.601 -13.577 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 4.833 -6.926 3.310 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 -5.114 -4.284 -5.835 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 -6.492 6.831 -2.312 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 -8.628 9.375 -0.497 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 0.356 -0.090 0.093 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 -13.232 -7.839 -3.585 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 -30.416 -6.956 -16.256 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 -3.748 -1.240 -3.295 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 8.463 0.539 16.606 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 -6.242 20.039 -6.937 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 4.002 -2.386 1.350 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 -16.553 20.594 2.625 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 1.431 -9.021 -7.218 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 0.083 -2.219 -1.059 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 6.452 0.786 3.833 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 0.299 -3.270 -5.532 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 -0.871 0.055 -2.964 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 1.196 2.985 0.049 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 12.820 18.812 14.482 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 6.029 0.070 -1.469 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 -3.777 12.945 34.951 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 10.733 -27.486 -3.865 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 3.674 4.028 -1.600 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 -13.574 1.625 -2.188 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 4.131 31.603 10.943 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 6.204 -6.592 9.236 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 9.105 -6.924 -6.764 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 -15.557 -11.468 8.883 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 1.695 -0.698 2.912 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 -17.589 4.246 5.297 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 -5.068 -14.832 -10.097 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 1.254 2.416 -1.846 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 -1.798 7.649 -20.228 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 4.449 -0.302 -5.010 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 2.290 1.563 -2.755 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 -0.442 -8.476 4.127 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 -4.072 24.180 -5.882 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 2.040 9.486 -6.545 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 11.336 13.796 -1.244 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 5.971 3.223 5.892 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 6.912 -8.398 1.075 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 5.839 3.489 -16.291 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 18.448 2.025 8.628 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 -2.100 5.379 -3.647 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 15.789 0.392 -22.275 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 11.560 13.656 18.713 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 -0.702 -1.020 3.706 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 -4.143 -14.066 13.724 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 1.815 2.183 -4.312 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 -1.683 2.204 -11.121 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 0.184 3.794 2.354 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 -10.726 -9.889 -8.008 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 5.361 2.791 -3.383 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 12.452 -3.659 -13.854 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 15.816 -2.425 -4.287 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 -3.687 2.918 -3.645 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 -10.826 -0.604 13.112 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 -4.593 12.672 7.382 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 -3.072 3.938 -1.011 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 -14.981 2.533 -12.431 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 -7.409 -3.908 11.496 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 -0.662 0.946 2.932 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 -9.650 2.028 -0.370 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 2.648 -1.837 7.934 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 -6.699 -0.323 0.672 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 14.008 -4.029 1.089 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 -31.469 1.921 28.011 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 1.116 -2.120 -1.683 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 9.554 4.045 6.591 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 -35.689 12.683 -40.541 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 -5.385 0.130 2.330 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 1.935 -5.831 11.955 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 -13.601 -12.682 -2.560 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 -1.881 3.191 1.140 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 -23.021 -20.942 -6.296 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 -16.109 29.856 -4.916 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 2.348 -3.214 -0.659 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 2.953 10.142 -4.432 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 14.575 -2.539 -5.011 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 -1.921 7.986 3.982 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 14.636 -5.041 -22.612 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 8.073 25.359 -2.406 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 8.673 -5.461 -5.128 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 1.780 -4.520 -15.872 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 6.880 6.698 -15.173 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 -3.741 -4.225 5.903 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 -10.329 3.267 13.849 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 4.239 11.170 8.740 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 -0.466 -5.817 1.306 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 -7.773 7.956 -0.898 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 1.828 -8.478 1.111 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 9.152 2.615 2.911 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 14.771 -3.739 -2.791 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 -0.410 -4.727 4.632 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 -2.600 3.113 -4.272 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 -3.013 -17.592 -6.645 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 -19.522 19.355 4.939 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 -3.409 3.749 -1.176 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 -10.905 -9.262 8.938 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 3.756 -19.261 22.174 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 2.236 -1.464 -4.285 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 -10.556 -14.357 -12.255 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 -0.968 -0.261 14.335 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 1.601 1.918 1.163 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 -17.205 3.889 -1.104 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 -1.268 11.958 -6.920 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 1.637 9.464 -0.992 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 -11.699 16.969 -2.072 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 16.042 15.250 -0.079 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 0.716 -1.456 6.357 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 7.680 -20.141 -21.048 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 -32.781 3.290 2.789 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 -2.271 -7.160 5.643 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 0.026 3.366 12.301 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 3.442 -22.339 2.867 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 -0.009 -2.314 3.307 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 -14.938 13.323 13.490 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 -12.798 -24.171 4.393 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 -8.948 5.365 0.549 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 9.212 7.890 16.068 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 -11.587 28.507 10.204 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 -6.085 -5.828 -1.959 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 -3.902 11.876 -11.055 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 -11.521 -16.079 -7.245 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 0.082 2.117 8.646 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 14.254 -22.811 16.818 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 19.666 1.890 -25.531 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 -4.645 -4.129 7.502 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 5.735 -1.246 9.721 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 3.773 3.839 -4.112 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 -0.770 3.248 6.394 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 -4.911 3.741 16.365 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 7.489 -3.359 2.386 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 1.911 3.844 -7.634 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 -4.080 -6.031 -29.724 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 1.424 -0.683 10.213 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 1.199 3.802 0.579 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 -7.940 10.179 -7.825 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 13.821 7.830 1.081 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 1.305 -2.306 0.537 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 -9.084 3.139 6.839 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 0.326 -2.660 1.243 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 4.994 1.801 -2.218 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 27.908 12.540 -34.917 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 -25.515 -2.637 -14.537 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 11.379 4.914 5.010 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 -11.600 -14.764 5.993 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 1.294 0.305 -25.892 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 -3.651 4.431 -3.818 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 -15.564 10.041 -30.000 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 8.465 -22.228 -6.626 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 7.125 -4.171 1.900 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 6.358 -6.070 -0.616 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 6.419 -3.694 3.034 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 -1.875 -4.591 3.645 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 -11.619 -20.783 -0.784 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 -17.301 -15.789 -18.974 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 4.623 -6.924 4.352 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 -20.399 7.969 14.130 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 -8.898 5.855 18.124 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 1.729 -2.131 0.617 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 10.559 -24.912 0.618 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 6.938 -14.174 3.761 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 3.432 -1.542 -0.370 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 -4.887 -2.641 -4.961 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 4.419 -2.044 1.679 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 -1.379 -0.368 -3.925 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 12.490 5.156 -8.227 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 0.714 -16.826 -10.034 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 -4.018 -0.524 0.907 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 -11.987 9.392 0.479 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 7.897 6.519 6.186 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 -0.244 0.090 -0.488 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 -9.633 6.910 9.687 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 7.897 -14.317 -3.580 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 3.250 0.716 -2.038 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 -15.765 -18.116 -3.572 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 16.003 15.325 3.765 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 2.540 -1.256 3.087 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 3.688 -2.548 -12.959 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 -1.756 2.882 22.998 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 -5.160 -1.451 -1.454 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 -0.255 -14.356 5.403 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 -6.410 7.495 11.122 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 0.515 -0.586 8.425 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 4.446 -3.678 1.943 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 18.581 -6.857 3.164 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 0.045 0.040 -2.053 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 -9.769 -7.251 11.208 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 -14.081 -0.073 -5.842 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 -2.467 -0.078 -2.029 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 4.549 0.772 1.537 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 -2.824 -6.791 7.573 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 -4.220 9.006 -1.621 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 -12.976 -6.763 -16.102 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 -5.478 -11.028 -9.331 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 -3.362 -5.993 -4.026 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 -6.899 -2.203 3.531 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 -5.864 -2.933 3.894 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 5.835 4.928 -6.494 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 -9.184 -10.910 -5.673 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 0.991 -7.141 14.848 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 4.415 11.986 -3.456 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 28.542 9.623 -5.331 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 -19.491 12.562 -9.088 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 -5.749 4.469 -3.845 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 -21.379 4.745 0.138 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 -15.546 14.743 10.280 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 0.501 0.910 0.400 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 -3.767 -12.616 6.025 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 5.470 21.706 -8.102 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 1.938 2.458 -5.030 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 -2.104 -6.141 -8.334 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 -9.035 -7.944 15.165 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 -2.655 0.484 -3.037 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 6.595 2.623 -1.761 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 3.908 0.303 -3.805 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 -3.512 2.981 8.663 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 3.590 -22.543 -17.687 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 -20.482 9.972 0.699 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 4.448 -2.868 3.951 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 3.025 -3.687 1.205 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 2.319 -7.187 8.524 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 0.095 6.443 -2.263 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 4.143 12.593 -8.041 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 5.937 4.277 2.196 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 1.320 -3.813 -5.699 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 -2.470 -1.668 -20.456 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 -1.038 13.237 7.005 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 2.723 2.104 0.675 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 -20.196 -1.675 0.183 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 -0.196 -2.661 29.278 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 -4.284 0.054 0.046 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 -21.082 -3.798 12.176 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 -11.369 12.845 -10.190 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 1.862 -5.593 4.368 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 6.567 -9.823 -2.025 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 -6.446 -0.076 22.613 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 -1.992 -0.736 2.759 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 7.721 -5.573 5.563 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 2.760 -2.022 13.650 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 0.879 1.675 11.709 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 7.145 14.393 -14.911 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 -5.562 6.386 11.006 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 -1.743 0.733 2.100 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 -2.984 -1.625 8.291 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 1.892 5.212 -3.986 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 1.471 1.523 -5.022 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 8.651 -3.167 -6.092 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 1.989 0.929 -4.607 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 -4.285 4.700 -3.053 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 18.880 2.544 18.226 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 -5.226 1.543 -3.378 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 6.165 -0.023 -1.036 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 3.239 -5.142 -1.642 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 26.648 6.476 -0.097 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 -0.230 0.431 -4.252 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 6.932 -34.980 2.898 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 1.107 -1.368 -29.816 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 -4.701 7.095 3.917 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 -32.493 -10.412 13.794 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 18.521 2.825 -5.381 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 2.351 -6.557 3.508 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 -3.974 -6.398 -9.274 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 -0.344 0.570 -35.823 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 7.655 -1.270 6.352 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 22.918 11.053 2.058 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 -11.304 8.667 21.702 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 -5.861 -3.642 -0.928 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 -8.614 14.282 8.555 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 0.894 11.459 -19.526 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 1.025 -9.094 -4.500 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 11.379 10.521 -18.684 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 -14.327 -4.828 -5.531 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 0.077 -2.790 -2.848 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 16.623 20.600 -15.435 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 12.565 14.652 -9.864 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 7.344 1.023 -0.819 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 0.640 -7.234 -9.651 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 1.822 -1.967 10.361 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 -1.108 0.881 -2.846 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 4.491 -12.781 -4.030 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 -3.063 1.140 -0.987 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 -4.260 1.071 2.918 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 -17.471 -7.021 6.800 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 29.054 -10.818 -19.422 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 -0.276 -2.794 -4.570 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 13.148 -2.337 -17.127 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 -13.591 -10.014 6.500 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 0.864 -0.827 3.021 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 -1.444 -3.754 2.019 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 2.516 1.976 2.916 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 -4.487 -1.003 2.693 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 -10.646 -3.339 17.285 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 -0.605 8.050 -0.560 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 -1.601 -2.979 1.502 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 -10.636 10.821 2.207 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 -0.190 -13.126 -1.127 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 -0.919 6.033 -2.304 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 -3.300 -10.208 11.949 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 8.162 5.605 -5.055 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 2.140 9.577 5.595 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 5.074 7.020 15.030 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 1.225 7.810 22.749 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 3.848 2.149 -4.810 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 2.798 5.998 -4.595 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 0.223 -14.018 -8.862 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 -2.728 1.846 2.767 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 -2.998 -1.980 -19.379 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 -29.101 7.970 19.890 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 0.821 0.796 1.420 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 -4.974 -14.985 -20.991 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 5.501 9.984 14.659 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 4.079 -0.927 -3.653 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 -5.060 3.195 5.711 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 0.187 3.394 -4.523 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 -1.362 -4.450 1.264 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 -1.678 -10.869 -5.206 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 -11.115 8.487 -9.737 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 -0.809 -0.232 -3.250 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 -26.026 -2.294 -7.514 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 9.696 -11.774 -10.940 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 -8.676 3.491 4.341 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 19.111 -8.514 17.305 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 -8.497 21.786 -16.512 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 -2.047 -3.062 -3.014 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 7.821 2.519 23.108 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 -12.106 -21.113 3.821 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 -1.565 -3.451 -9.464 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 23.274 -25.461 18.964 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 11.996 -16.334 8.688 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 -1.921 -3.335 -1.276 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 14.101 16.740 -5.949 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 -8.334 6.505 19.334 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 -1.632 -3.155 -2.707 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 -7.973 -0.720 -2.859 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 -0.444 -1.688 3.651 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 4.622 -2.066 -5.291 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 -8.809 1.571 -26.048 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 23.970 -20.196 -15.364 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 3.102 -2.338 3.025 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 29.507 -17.150 3.049 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 -2.478 -0.092 5.487 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 5.700 -2.608 -0.796 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 0.689 10.557 10.549 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 13.448 -2.143 15.813 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 -4.532 -5.491 7.626 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 -16.324 -7.338 -7.907 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 -11.855 -10.764 -1.891 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 3.688 0.853 3.212 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 -8.134 14.499 19.453 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 -2.404 13.393 -12.460 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 -3.642 2.662 3.736 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 -2.040 -3.684 1.449 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 1.156 -5.066 4.354 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 -0.269 -3.378 2.020 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 13.906 -25.655 22.825 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 12.197 5.394 -6.830 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 2.607 2.297 -4.662 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 -4.045 6.312 -2.283 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 11.030 -2.522 -6.946 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 1.023 1.714 5.154 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 3.415 4.102 6.094 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 0.022 1.652 4.752 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 3.616 4.184 1.973 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 23.864 -11.652 24.132 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 6.313 -19.642 2.694 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 2.903 2.403 -1.523 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 2.863 -4.053 -10.745 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 20.694 21.213 -3.929 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 -3.942 2.091 0.234 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 -17.243 3.607 9.758 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 -15.407 6.192 -11.883 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 -0.567 3.156 -0.650 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 3.052 -16.122 7.369 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 -3.943 12.835 -10.419 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 1.288 4.239 5.851 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 8.815 -8.417 8.070 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 -21.965 10.619 20.557 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 3.544 2.885 4.601 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 5.285 4.456 -3.048 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 6.361 0.499 -4.248 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 1.463 -1.355 -0.351 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 6.229 2.464 3.503 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 9.806 -3.064 -12.011 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 8.083 -0.971 0.306 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 9.050 -15.616 -12.662 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 7.790 12.749 11.468 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 -3.591 13.575 -1.008 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 -12.695 7.394 -16.261 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 -18.781 5.429 -5.890 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 7.201 -6.311 5.066 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 -9.641 18.130 7.906 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 0.799 2.824 5.908 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 -2.248 -4.716 -7.198 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 11.258 21.045 -6.838 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 -13.408 -44.889 -6.797 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 0.422 0.658 1.117 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 -1.034 -8.042 -5.882 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 -2.583 -14.036 -12.947 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 1.451 1.425 -0.150 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 28.186 -9.530 7.419 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 13.396 -7.660 -2.555 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 -1.128 2.792 -0.098 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 -1.989 -2.508 9.997 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 -0.376 0.839 5.166 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 2.430 2.809 3.678 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 -2.262 2.259 0.404 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 -0.236 10.794 -28.074 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 0.064 -1.936 11.234 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 10.013 -5.965 16.085 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 6.208 -3.131 10.557 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 -0.158 -6.211 0.786 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 -22.884 -6.136 31.449 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 14.325 10.224 -18.853 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 -4.336 -1.776 -0.280 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 -7.001 -4.772 -1.612 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 -8.730 -26.332 -10.049 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 -3.475 -4.273 0.186 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 -3.231 -5.677 0.393 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 -7.145 12.741 -0.770 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 -1.775 0.759 -3.228 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 -7.360 11.300 -12.019 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 4.705 -12.346 2.657 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 -2.748 5.561 -6.574 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 -5.351 6.640 5.195 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 0.526 22.262 -7.373 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 3.667 4.092 4.573 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 -6.778 26.490 9.440 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 -7.573 26.021 8.145 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 3.673 -1.128 -10.179 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 13.620 5.338 -11.453 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 -28.319 -20.463 -0.784 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 6.433 -9.031 7.146 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 -5.378 -8.554 12.872 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 -7.987 -0.638 14.347 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 5.377 -3.089 7.526 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 -10.046 8.635 2.604 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 5.964 -8.801 7.730 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 1.792 3.412 0.672 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 -0.498 3.088 0.878 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 1.684 2.917 4.390 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 -0.286 -0.697 13.074 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 -17.563 -10.248 11.333 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 6.651 5.171 8.242 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 -1.285 -8.017 -2.311 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 -18.308 -12.579 -22.178 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 30.847 -27.401 6.258 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 0.039 -4.336 -1.316 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 15.064 -6.421 4.435 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 3.600 -0.117 -14.332 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 -2.601 -1.530 -2.981 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 4.802 19.121 0.338 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 8.811 9.889 -25.717 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 -4.057 -3.686 0.256 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 -12.491 2.120 -3.007 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 5.345 -9.445 3.066 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 6.937 -1.992 5.554 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 12.969 1.363 18.486 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 -9.832 -24.530 7.531 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 0.889 7.377 12.088 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 4.418 5.416 30.603 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 3.241 7.153 14.303 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 -4.134 8.908 5.659 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 -9.035 8.685 16.012 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 11.524 2.333 9.843 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 3.855 -6.004 -1.925 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 14.031 16.247 -8.094 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 -24.835 -34.405 14.253 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 -4.088 8.571 -0.853 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 1.528 19.885 -4.005 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 -6.380 16.657 -5.254 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 7.878 -2.019 -4.391 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 18.085 5.002 2.606 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 -3.846 5.336 -5.515 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 -3.984 -3.749 -8.682 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 13.001 -10.191 -7.882 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 2.769 -12.512 -6.647 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 -0.142 1.105 -2.733 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 1.996 0.937 -0.414 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 -2.836 6.389 5.700 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 -6.922 -1.929 0.677 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 -1.339 -13.373 17.489 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 -6.157 -7.355 7.108 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 -1.921 -1.790 8.459 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 2.341 -3.403 29.515 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 3.616 1.715 -0.548 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 -2.524 4.990 2.974 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 -5.951 -20.178 -3.310 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 7.793 1.458 -4.323 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 6.166 -6.624 0.290 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 -1.908 -0.548 9.726 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 -4.734 3.107 5.993 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 0.830 -3.396 3.221 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 -2.052 3.180 -13.921 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 -7.938 -2.027 -11.516 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 1.277 -1.528 0.667 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 -15.540 4.148 -10.782 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 -11.985 6.006 -0.509 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 -2.783 5.237 -5.111 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 -2.148 14.886 4.311 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 -0.240 23.201 2.686 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 0.409 -4.575 -7.558 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 15.968 -15.435 2.515 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 -18.942 4.513 -9.735 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 2.597 -5.945 -6.867 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 -13.078 0.561 -1.226 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 6.901 -22.216 -0.983 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 1.126 -9.216 -4.706 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 -10.651 -1.113 -22.393 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 2.108 -2.093 -6.504 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 3.218 -0.122 2.123 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 10.517 -5.236 10.693 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 -25.756 -20.998 17.209 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 -7.516 1.906 3.069 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 -21.342 15.288 5.465 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 -21.089 -1.383 0.473 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 0.722 0.077 0.802 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 -5.013 -13.303 14.680 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 -6.262 -12.385 2.766 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 2.233 -3.365 -0.776 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 8.946 -3.623 4.974 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 -8.033 -0.632 29.074 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 -6.234 1.867 -1.451 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 2.986 12.196 -8.496 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 -14.020 -10.800 3.045 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 8.025 -5.470 -9.581 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 18.609 15.294 -10.429 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 0.435 -10.942 -7.442 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 -2.491 3.735 -6.186 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 -8.719 7.726 1.886 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 9.230 5.334 -14.577 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 7.194 -0.766 -2.573 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 12.024 -1.484 -28.469 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 15.803 23.830 5.095 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 -4.658 0.121 5.568 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 16.329 -4.188 12.334 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 7.950 -2.169 8.785 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 1.908 3.418 5.216 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 -0.309 -5.674 -9.621 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 3.694 11.300 -5.104 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 -1.501 -0.490 4.821 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 -17.932 -3.041 15.821 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 10.929 -1.454 10.704 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 2.783 3.667 3.064 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 -5.944 15.359 -0.165 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 1.531 3.946 3.291 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 4.965 -2.664 -4.409 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 4.052 -7.771 -1.714 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 -2.001 4.631 -28.414 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 0.900 -2.286 -3.447 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 8.458 5.897 -3.631 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 -18.206 -3.188 -3.354 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 -4.732 4.898 -1.147 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 6.904 14.965 -9.929 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 -0.855 1.224 -6.313 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 4.167 1.854 1.156 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 11.326 30.599 16.888 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 13.553 -6.818 1.947 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 3.952 -0.245 3.004 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 -5.673 4.098 8.812 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 2.460 10.004 8.075 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 -0.225 0.977 -7.762 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 1.432 3.169 17.079 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 -5.269 -19.767 -3.982 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 -10.723 9.586 -2.908 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 15.241 11.224 8.572 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 -7.969 1.859 8.220 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 2.118 1.053 -5.124 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 -7.653 -12.510 22.301 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 -7.218 -15.826 22.944 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 -6.176 -2.638 0.415 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 -10.162 -5.693 -4.345 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 0.479 15.885 9.422 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 -3.462 -1.277 -1.208 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 8.866 -2.949 -12.996 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 -11.993 2.099 8.500 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 0.911 -2.435 -1.450 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 18.332 -16.458 -10.428 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 -3.783 -1.819 -12.370 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 -0.499 2.738 0.164 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 7.869 -3.637 2.637 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 -4.480 15.283 9.297 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 -2.649 -7.933 0.743 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 -7.443 -5.444 -6.959 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 8.331 19.147 -2.536 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 2.183 0.608 -2.264 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 -22.333 26.494 -3.220 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 1.829 -2.782 5.392 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 1.615 -4.330 -1.267 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 0.399 2.033 3.222 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 2.144 -3.119 -2.751 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 -3.063 -5.117 6.126 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 -1.326 -14.168 -12.167 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 -6.717 -3.404 2.026 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 -3.651 -1.991 -5.238 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 -0.034 -17.038 -5.717 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 -4.912 4.038 -4.080 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 2.714 -6.967 -1.979 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 -4.235 -10.677 -0.513 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 -6.616 0.605 -1.925 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 1.717 1.770 -5.949 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 -37.139 16.205 4.140 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 -13.255 4.164 -6.417 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 -3.639 4.061 -4.529 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 1.022 -2.857 -5.960 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 -13.571 6.113 -11.583 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 2.080 -0.870 -2.142 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 9.985 -9.902 -8.418 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 -7.765 6.527 4.207 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 3.616 -0.741 3.342 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 14.757 17.584 -15.345 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 2.143 -4.012 7.353 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 -5.071 10.620 2.303 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 -5.175 9.586 -5.266 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 -5.830 9.779 1.769 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 -6.543 2.602 -3.200 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 -4.600 1.590 8.455 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 -12.029 2.298 -3.211 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 2.851 2.389 -1.495 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 9.523 13.206 13.513 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 -23.977 0.586 14.442 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 -3.500 8.348 -1.162 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 -0.984 15.189 9.075 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 -6.369 4.561 -8.889 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 5.837 -2.566 -2.749 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 5.075 -5.890 -0.154 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 7.516 6.662 -16.352 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 -3.876 -2.132 4.192 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 0.138 -1.337 14.379 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 -2.582 0.849 11.256 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 -4.168 -0.095 -8.662 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 -6.032 -1.861 -6.749 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 -8.223 -6.266 -5.303 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 0.762 6.616 5.703 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 32.903 1.774 -12.036 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 -26.184 16.649 6.395 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 0.415 -4.488 4.478 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 -9.381 -24.532 5.897 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 -9.661 -1.998 16.287 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 0.964 2.707 -6.299 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 -20.998 -0.211 -14.728 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 -1.990 13.507 15.979 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 1.570 3.211 -4.959 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 -11.245 5.785 -7.430 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 -1.283 -1.861 10.071 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 -4.044 -6.029 1.071 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 -14.250 -2.704 -5.741 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 6.119 -8.668 -7.277 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 0.612 -1.507 -3.688 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 -13.010 -16.827 14.628 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 2.207 -8.756 -14.871 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 6.407 -1.771 -0.039 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 5.773 -17.002 6.545 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 8.486 -17.617 33.664 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 -2.555 -1.143 -9.743 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 -1.127 2.540 -14.519 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 -12.123 8.269 -6.687 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 -4.171 1.430 3.867 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 -7.731 10.405 1.246 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 -4.371 5.761 22.036 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 2.702 3.959 -5.826 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 -5.135 0.396 15.842 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 5.620 10.621 -21.508 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 4.384 -3.926 -2.539 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 -6.875 -0.848 -11.528 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 -2.451 -7.837 5.990 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 3.633 8.822 -1.420 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 1.409 22.949 10.931 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 -2.833 -10.736 -4.350 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 -5.887 2.550 1.844 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 -8.015 3.322 -0.531 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 -34.008 7.921 -13.934 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 4.714 0.771 -1.909 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 17.267 17.296 14.046 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 9.546 8.630 6.841 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 -3.310 -2.123 -0.541 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 -14.579 -1.327 9.060 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 11.436 2.800 5.802 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 -9.697 8.184 -2.100 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 -10.555 5.636 -7.060 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 -11.153 6.087 -6.591 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 2.375 -2.242 0.369 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 5.905 -1.963 -10.339 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 1.943 -1.843 -10.762 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 4.369 2.884 -2.376 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 17.148 -8.130 0.832 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 -4.696 5.252 -5.279 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 -4.845 -7.087 1.477 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 4.300 12.458 16.039 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 -29.843 -0.982 7.266 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 3.835 2.599 -4.696 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 4.400 1.420 -4.083 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 9.430 -9.018 0.965 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 2.486 -7.546 1.509 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 -12.944 2.976 31.598 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 4.699 -11.495 12.548 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 -3.214 2.662 -4.637 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 -7.731 23.730 6.712 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 2.054 17.204 -12.582 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 -0.223 -0.666 1.982 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 -2.940 -8.549 17.623 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 8.955 10.686 1.166 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 2.586 -4.878 -1.770 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 -22.041 4.514 8.847 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 8.657 3.986 -7.177 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 7.480 1.327 0.462 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 6.241 10.236 4.123 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 11.324 -7.628 1.094 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 6.100 -3.230 0.801 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 9.049 -11.197 2.525 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 2.066 20.259 -5.737 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 2.817 -4.233 -2.434 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 -0.716 -9.647 3.569 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 0.316 6.078 -0.140 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 1.016 2.417 0.886 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 3.595 -12.786 30.381 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 3.185 -11.877 28.430 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 -3.338 -0.544 -0.361 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 -6.990 -1.626 -1.496 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 5.060 -3.443 0.180 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 8.007 -6.008 0.685 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 9.992 -4.009 -3.123 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 6.932 31.062 12.587 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 -6.401 0.339 3.340 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 -1.635 -2.204 -0.265 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 -28.820 14.458 16.135 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 -9.129 6.072 3.038 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 12.441 8.339 27.730 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 -15.970 -8.407 16.024 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 -2.415 -2.004 -2.662 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 7.327 5.914 -4.957 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 -21.652 -6.898 0.266 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 -4.073 -2.382 -5.021 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 -2.503 2.235 13.307 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 -11.252 -15.837 -7.331 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 3.462 -3.388 -1.722 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 2.756 0.815 5.365 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 11.839 -6.689 -0.762 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 5.264 3.735 3.775 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 -17.285 17.684 15.593 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 19.012 -6.326 1.683 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 2.840 -4.479 8.692 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 12.493 -6.081 7.603 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 -3.049 -14.087 4.288 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 4.057 -2.183 0.846 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 -5.622 3.999 4.274 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 5.373 -1.673 0.454 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 -6.545 -8.650 0.995 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 1.666 -26.956 -2.595 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 2.863 11.961 7.329 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 -0.279 -5.976 -5.413 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 0.840 -6.342 -6.773 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 -0.592 -4.440 -4.095 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 1.014 0.940 3.882 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 7.199 1.106 -15.436 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 -7.001 1.773 2.723 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 5.372 7.538 2.791 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 15.145 6.246 -12.150 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 -4.301 12.688 13.997 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 -5.136 2.224 -2.456 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 -18.032 -2.901 -7.781 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 13.490 3.041 8.914 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 -3.324 1.326 10.649 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 3.519 1.122 7.659 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 -4.218 -2.397 8.345 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 2.468 0.065 -0.879 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 -2.946 1.562 7.610 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 -10.380 0.105 2.291 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 1.636 2.967 -2.059 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 16.875 -7.594 12.869 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 -11.347 17.647 10.182 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 -5.108 -4.202 2.284 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 -2.775 -0.109 4.759 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 -8.039 28.257 20.087 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 2.817 -0.601 0.418 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 1.814 0.308 -1.012 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 10.310 4.270 2.004 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 -6.697 -6.778 -3.019 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 -16.657 -17.563 -10.841 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 13.739 12.455 -1.177 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 4.490 3.495 0.727 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 3.891 12.080 -21.159 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 -3.670 9.543 3.046 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 7.734 6.730 -3.057 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 4.446 10.245 2.250 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 23.949 4.332 -5.351 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 -2.858 7.702 -0.206 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 12.298 -15.204 -9.834 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 -18.894 2.933 13.001 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 -1.637 4.372 3.650 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 -2.130 0.103 6.886 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 -4.222 3.103 -5.964 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 2.600 1.582 -0.114 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 3.843 -13.458 -16.834 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 9.981 -8.672 17.197 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 2.016 4.297 0.071 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 -6.206 13.350 11.108 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 -6.607 13.278 6.420 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 3.702 -7.023 -6.060 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 0.010 -6.509 -15.479 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 6.450 -7.757 5.355 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 -0.572 1.737 -4.312 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 -14.510 -16.691 -4.888 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 -2.306 8.612 -25.191 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 -1.964 9.498 0.313 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 -7.093 -4.210 -24.639 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 19.337 4.935 2.529 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 -2.837 1.261 -2.448 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 -7.886 -7.518 -3.236 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 -11.882 3.034 9.138 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 5.605 -6.214 8.829 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 -15.899 -3.508 9.495 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 10.951 -7.629 3.405 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 -2.885 3.255 5.030 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 0.552 4.545 6.404 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 -13.604 -20.062 5.456 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 -0.025 0.008 1.473 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 0.766 3.450 -1.974 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 -11.925 -9.310 7.203 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 -3.998 1.951 0.786 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 -8.520 -1.938 4.670 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 -1.118 8.406 11.547 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 9.008 -0.690 -2.189 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 6.846 -2.577 -3.822 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 -21.331 -3.537 11.278 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 1.675 -1.755 3.781 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 -7.526 -14.759 -11.253 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 14.721 8.569 -6.294 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 -7.579 -1.724 -5.123 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 13.033 7.322 -12.642 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 13.796 -5.516 1.012 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 0.484 -2.110 0.449 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 -1.247 1.647 -15.633 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 -11.111 -4.718 7.712 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 1.319 1.193 0.760 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 -8.616 3.556 2.022 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 5.126 10.658 1.841 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 -4.336 5.875 0.689 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 0.710 -10.434 3.642 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 -18.168 4.094 -6.305 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 -0.818 -0.073 1.577 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 19.037 -5.757 -0.063 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 -9.847 6.225 21.804 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 -0.118 -5.652 2.856 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 -18.898 -3.347 3.021 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 6.007 -14.795 8.647 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 2.464 7.092 0.982 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 0.554 14.687 13.578 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 -1.294 14.311 -6.371 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 1.180 -7.978 -3.626 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 -3.032 -11.448 -3.058 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 3.191 -5.994 -4.018 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 -0.284 4.251 0.933 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 0.802 -3.702 -5.931 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 -2.600 -3.996 -22.352 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 2.619 -1.639 -0.056 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 16.077 -6.592 -14.141 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 -9.625 0.362 -1.542 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 2.323 4.257 -2.364 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 2.286 -17.865 1.625 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 -11.092 0.695 -25.350 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 1.966 -2.961 -2.171 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 -0.153 -0.585 -1.836 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 0.588 -23.120 -10.555 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 10.296 -4.266 -11.354 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 25.568 1.551 12.922 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 -9.078 -22.227 -1.603 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 5.111 -4.915 3.482 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 2.293 -3.917 -11.371 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 6.765 41.113 16.120 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 3.506 -5.112 0.443 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 3.934 -5.339 0.029 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 1.629 -15.534 -11.996 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 -0.742 -2.046 -4.347 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 -4.429 -4.501 -32.116 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 42.515 -32.334 -2.782 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 1.405 -5.577 1.852 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 4.292 5.581 0.840 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 -6.835 -10.864 -7.363 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 7.040 -0.813 -0.841 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 5.042 -5.413 2.562 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 6.458 2.294 -1.608 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 0.646 6.368 5.358 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 -2.774 -4.886 -11.042 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 7.779 -2.441 19.749 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 3.840 -0.361 -0.682 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 4.119 7.622 15.964 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 2.290 10.454 10.019 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 1.448 3.135 0.583 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 2.316 -10.937 3.754 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 0.850 -14.277 7.385 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 -4.917 4.266 1.735 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 1.680 4.416 4.574 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 -3.626 0.310 7.191 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 0.568 -1.680 2.474 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 -0.149 -0.203 3.591 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 -4.926 5.107 5.625 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 -5.598 -1.942 1.130 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 0.332 -0.029 -13.586 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 9.275 -0.118 -19.763 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 -2.853 -1.231 -6.218 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 -1.473 -5.364 3.530 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 -3.815 -30.609 20.330 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 1.016 2.191 -2.265 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 14.469 16.661 0.343 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 -0.403 0.570 -2.567 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 3.869 1.408 -1.909 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 9.326 -7.213 -7.810 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 2.595 6.210 -16.006 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 6.686 -3.721 -2.759 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 17.559 15.336 -18.462 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 22.374 -22.973 -3.147 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 -5.025 3.269 -3.334 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 10.017 9.430 11.750 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 2.537 8.326 3.921 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 -5.538 3.449 -0.710 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 4.551 -1.987 -7.286 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 -16.077 0.229 -2.729 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 -1.647 1.530 -3.694 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 20.683 -21.586 -3.770 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 0.381 0.197 -15.790 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 6.067 -4.235 -0.612 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 30.023 -14.630 16.990 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 8.486 2.214 -14.238 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 2.455 -0.601 5.203 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 29.323 17.244 9.431 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 13.410 22.367 1.148 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 -5.490 -6.604 0.763 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 -8.208 -0.344 -2.455 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 -12.248 -3.885 12.124 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 2.413 -8.352 0.325 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 4.215 -11.672 0.539 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 -17.757 -9.071 5.743 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 0.056 0.996 1.238 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 5.851 -1.140 -1.095 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 0.548 0.237 3.505 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 0.818 -1.824 1.846 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 -12.209 -27.150 21.971 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 17.920 -0.184 3.433 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 -4.970 -0.276 -3.675 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 -15.605 -1.988 10.717 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 -1.814 -15.312 -6.906 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 -3.483 -11.698 -1.102 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 -0.718 -13.060 -5.933 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 -22.341 -8.737 8.961 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 -4.230 3.814 4.436 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 -4.032 3.872 3.638 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 4.507 7.105 11.096 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 4.579 -1.941 -0.007 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 23.889 0.653 4.195 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 4.594 -27.300 -6.264 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 -2.598 7.793 -6.127 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 8.687 -5.813 -18.778 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 22.687 20.513 1.588 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 -5.156 3.547 -2.087 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 -14.163 -9.251 -5.664 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 -0.226 1.260 13.045 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 -4.295 2.328 -0.923 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 -5.008 2.931 -1.494 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 -6.791 4.259 -4.001 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 1.778 -2.877 2.815 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 -8.465 1.037 -3.042 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 22.175 -6.800 -10.775 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 -5.418 -0.574 5.998 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 -4.379 -4.096 -4.755 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 -16.300 -5.011 15.045 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 4.521 5.738 -6.917 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 -16.464 -1.036 -10.832 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 -0.904 0.030 -10.808 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 -2.275 -0.183 -0.059 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 3.526 21.444 16.263 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 1.456 -1.532 -3.982 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 1.315 5.196 4.342 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 -11.593 -17.730 -2.764 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 -5.232 -3.189 25.436 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 5.386 5.810 6.600 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 4.961 9.307 6.738 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 3.663 -14.348 11.750 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 -6.564 6.766 -0.436 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 -10.568 -15.042 27.772 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 -9.616 -0.910 15.397 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 2.782 6.229 9.369 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 -2.789 -15.179 36.718 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 -4.845 6.563 6.110 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 0.958 -0.903 1.348 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 1.234 -1.853 -1.622 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 0.078 -1.054 0.617 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 -0.662 2.825 1.569 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 -20.734 9.414 -27.928 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 -35.969 22.690 -20.830 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 -2.707 -3.253 0.077 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 -8.048 -2.999 -20.227 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 17.083 -1.706 4.054 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 2.140 -5.331 -2.152 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 -2.574 -13.452 -7.626 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 0.883 -11.113 5.562 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 0.215 1.373 0.687 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 -10.415 -3.392 8.078 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 9.541 9.070 -5.678 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 -4.696 6.760 -3.497 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 6.669 -0.759 12.404 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 -8.113 6.168 -3.217 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 2.667 -1.885 -6.010 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 -3.771 -7.676 18.283 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 2.094 -0.527 0.974 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 3.479 -3.684 -1.243 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 2.261 -7.362 11.848 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 8.623 -10.619 -5.671 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 1.169 3.105 5.350 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 -5.663 -38.550 34.451 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 -14.044 1.344 10.736 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 0.532 2.874 -3.747 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 -1.139 3.262 -1.782 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 -11.630 7.334 14.441 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 2.668 -8.716 -0.443 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 -21.499 -1.716 -3.298 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 20.320 -7.278 -11.204 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 -0.235 3.899 1.446 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 26.247 11.305 -10.534 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 -1.736 21.754 2.233 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 -2.405 2.119 -6.584 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 8.096 -21.352 12.318 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 2.633 -4.745 -13.812 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 -4.718 -2.778 1.424 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 13.817 -27.863 -18.261 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 7.960 19.404 -6.031 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 6.312 5.322 3.900 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 12.550 11.251 6.201 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 7.992 8.632 -3.823 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 -2.109 1.195 4.795 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 21.516 5.660 -8.578 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 -4.739 7.790 -2.892 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 -0.514 -8.032 1.346 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 -6.001 10.969 -1.062 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 -10.279 -1.956 -1.547 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 0.957 4.991 0.423 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 -5.042 0.967 -16.984 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 14.751 -4.676 -1.726 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 -0.747 5.490 3.026 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 -16.852 9.876 5.467 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 -3.842 10.140 5.584 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 -1.472 -5.130 4.410 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 11.197 29.901 6.953 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 -5.490 18.523 -8.270 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 4.469 -5.201 -2.021 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 3.063 -5.847 6.801 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 12.823 -5.484 5.568 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 1.324 5.987 3.869 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 18.555 -6.253 10.828 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 17.120 -18.618 11.326 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 -3.016 -2.093 4.953 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 14.813 -6.528 3.255 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 -16.083 3.937 8.129 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 5.083 1.039 -1.000 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 -6.888 8.001 -43.727 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 -21.587 12.703 -12.532 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 3.792 4.814 -3.857 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 10.609 -2.964 -11.073 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 5.312 -2.516 -4.504 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 2.043 1.912 1.862 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 -8.739 1.324 -9.218 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 18.561 -5.403 -1.911 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 -1.641 -4.116 -1.974 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 9.436 7.600 -5.792 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 3.263 -11.817 -1.724 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 -0.522 -2.345 -1.742 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 -1.479 -25.045 -16.465 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 -8.084 2.908 0.221 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 -0.320 -3.746 -0.256 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 -2.529 3.472 -1.070 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 -3.057 3.497 -1.810 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 -2.822 5.505 -2.297 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 -16.074 5.741 18.655 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 9.215 14.185 -21.824 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 -0.099 -0.494 -0.801 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 -6.832 -1.827 0.144 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 -2.833 7.436 -2.006 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 2.290 0.723 -0.913 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 6.632 -29.991 9.096 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 -3.069 -1.819 -31.464 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 -3.022 -2.963 3.440 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 22.316 -5.603 -4.803 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 23.970 -12.348 -0.405 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 -2.301 -3.025 -8.704 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 17.583 -6.988 -2.363 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 -1.027 7.435 -25.536 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 0.054 0.368 1.945 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 0.949 -3.767 21.117 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 -1.630 1.258 -13.568 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 1.877 -4.757 -4.459 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 0.791 -5.137 -2.969 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 3.450 -10.063 -10.925 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 -6.328 0.595 -1.069 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 -25.080 2.341 -6.329 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 29.754 8.409 -10.198 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 0.459 1.622 2.291 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 -4.697 -1.505 -28.139 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 -3.019 12.286 9.830 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 -0.613 5.784 -0.064 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 43.826 -12.124 10.055 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 -13.703 -7.862 21.433 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 3.739 -1.584 -5.162 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 -6.658 -4.497 -7.128 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 3.359 7.984 0.220 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 2.595 -12.290 -1.484 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 1.464 -11.263 8.519 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 6.151 -2.004 -8.420 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 3.297 1.170 -6.577 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 -15.054 -14.707 -10.419 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 6.399 3.500 -5.755 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 -1.987 2.726 4.778 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 -10.389 -12.924 4.328 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 -10.167 9.118 10.840 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 -3.284 1.269 -1.467 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 0.173 -2.620 -0.485 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 -3.956 -0.269 0.800 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 2.980 1.551 -7.290 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 -5.519 7.626 -0.184 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 -8.676 -6.093 3.952 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 2.511 8.507 -1.096 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 7.709 22.777 -7.126 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 0.411 6.569 14.197 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 0.971 1.215 -0.341 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 -23.059 -2.158 4.959 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 4.430 -1.199 2.010 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 -2.473 -3.422 -6.918 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 -19.881 -8.387 16.568 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 -9.883 9.020 -3.747 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 -4.972 -3.333 -2.795 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 8.804 -12.995 9.468 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 -6.653 -2.564 -3.924 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 -0.123 -1.484 4.455 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 29.925 -12.957 -6.596 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 -9.968 2.177 7.784 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 1.159 -4.169 1.548 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 1.811 -11.354 -6.753 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 8.202 6.087 2.702 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 0.647 1.752 4.517 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 4.544 12.834 16.819 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 -16.308 2.530 3.633 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 -1.637 3.757 2.541 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 -10.635 7.189 3.215 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 6.391 -11.120 -20.142 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 -0.442 0.052 -2.246 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 13.651 6.893 15.124 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 -3.447 -5.175 5.704 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 -1.671 -2.776 9.362 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 -4.712 -6.023 -2.821 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 -8.415 -7.849 -4.436 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 3.850 -0.409 -4.687 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 3.174 -2.261 5.169 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 22.621 5.909 7.971 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 1.085 0.384 -2.471 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 -2.014 21.355 14.927 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 5.310 33.622 22.743 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 -0.701 -1.422 -5.675 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 1.626 -6.235 12.566 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 -9.115 17.589 -0.706 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 -4.601 6.972 -5.752 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 -17.274 15.528 -2.805 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 -7.623 3.290 -23.540 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 -2.169 -4.783 7.704 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 -10.424 -4.296 7.691 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 11.640 17.657 9.075 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 6.485 0.066 -0.779 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 6.831 -28.299 5.830 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 11.271 -8.193 -13.127 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 9.438 -11.546 0.794 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 1.110 -12.323 -2.911 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 3.859 -12.535 3.201 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 0.685 -2.004 -0.603 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 4.048 -4.571 -0.789 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 -2.646 -2.412 -1.759 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 2.167 1.134 1.556 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 14.053 -5.135 -8.544 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 -10.832 1.064 -12.712 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 4.613 -2.250 0.924 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 -5.365 -0.608 -8.542 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 13.641 -13.999 8.838 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 6.720 0.957 2.678 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 26.798 7.316 -13.727 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 -4.140 -3.185 16.084 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 7.955 -0.383 2.824 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 -2.541 12.670 -3.310 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 7.072 -9.159 -11.225 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 -4.358 0.109 4.369 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 -20.784 -14.030 7.344 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 -4.755 0.682 3.859 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 -4.608 -0.582 2.774 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 -3.247 0.475 1.586 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 -6.669 -3.475 4.227 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 5.107 2.876 0.439 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 -4.754 -3.247 20.275 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 23.742 -7.339 8.279 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 0.308 4.916 3.277 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 5.285 -1.357 11.522 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 -13.776 4.443 -21.839 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 3.042 2.918 1.482 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 2.019 -20.133 2.000 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 2.363 38.246 0.128 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 -5.037 5.594 1.285 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 7.119 -9.937 13.435 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 1.683 -4.201 9.064 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 -4.522 -5.010 5.252 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 -13.186 -9.087 3.630 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 2.469 2.310 5.887 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 0.036 -9.761 4.267 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 3.630 -1.082 -9.269 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 -7.184 -18.736 13.274 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 -1.434 5.084 1.644 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 4.695 13.103 -2.675 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 -0.934 -16.676 21.599 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 4.483 0.425 -1.784 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 4.435 -0.395 13.127 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 13.509 20.639 -6.619 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 1.090 4.040 3.130 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 -13.460 -14.273 -8.319 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 19.231 -12.077 -10.178 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 -4.841 8.921 0.208 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 1.733 16.696 -5.005 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 -3.068 4.442 1.483 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 -3.756 1.931 2.319 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 -5.609 -8.425 4.676 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 -3.515 6.235 -1.611 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 3.517 -0.380 0.989 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 4.844 2.337 -12.911 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 13.460 -1.638 -0.721 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 6.051 1.479 5.778 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 9.932 -11.893 14.518 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 8.278 -10.397 5.175 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 1.850 1.214 -0.277 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 -2.090 -13.435 -11.263 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 0.350 -7.111 -3.834 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 7.802 1.386 -2.026 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 -11.106 22.326 25.357 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 14.187 4.813 -12.342 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 -1.342 -0.592 2.287 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 -5.632 -12.385 -13.122 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 0.965 7.589 -15.919 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 3.392 1.187 -5.512 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 3.825 13.140 -17.573 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 -9.706 -3.614 3.090 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 0.304 3.578 -5.829 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 5.545 15.953 22.095 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 21.567 18.207 -1.493 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 -0.743 -0.194 -6.023 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 -22.620 14.237 -13.289 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 2.513 8.883 -1.015 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 -4.692 2.267 -4.492 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 -2.416 -13.011 2.968 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 -3.418 12.086 2.910 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 5.429 -1.593 1.056 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 13.990 2.843 -3.211 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 0.035 -0.351 0.742 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 -1.537 8.024 -0.575 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 16.032 14.016 -4.591 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 -14.111 12.440 -15.745 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 4.774 1.210 -0.945 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 14.202 17.423 -10.420 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 -0.838 -2.039 12.599 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 4.763 0.691 -1.314 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 -22.586 18.650 -5.730 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 6.597 12.998 -1.341 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 -4.212 -2.345 2.764 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 0.558 -12.177 -7.518 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 -16.746 -11.034 17.631 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 9.318 2.672 6.268 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 8.336 10.186 -12.739 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 15.841 5.487 -16.075 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 -0.441 -9.124 -4.137 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 3.897 -13.045 8.444 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 -4.688 14.446 -8.534 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 2.054 1.333 -3.003 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 10.324 -10.733 8.151 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 -6.508 -1.846 -19.388 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 1.764 -5.929 -3.184 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 6.657 18.733 -7.154 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 12.976 3.121 2.237 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 3.038 -1.946 5.525 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 -17.671 -16.529 -4.882 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 3.993 -3.812 4.568 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 -1.568 -7.793 1.327 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 -15.199 -17.787 9.787 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 -9.407 3.628 -11.097 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 1.229 0.025 0.764 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 2.516 -11.143 0.637 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 12.481 8.972 1.123 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 -3.038 4.609 -3.243 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 0.736 0.525 -8.162 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 -15.136 1.397 7.246 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 -0.620 8.012 -5.854 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 -10.042 10.903 -15.948 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 15.715 20.963 -21.706 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 -2.954 -6.532 -3.029 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 13.436 -5.696 -10.374 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 -26.398 -18.910 -12.913 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 -2.675 4.201 -1.959 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 -5.752 -8.803 -9.558 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 22.127 10.211 -2.549 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 1.097 0.856 -1.283 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 19.290 17.909 4.010 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 21.796 2.399 -1.644 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 -0.173 -1.671 4.331 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 9.092 -18.906 4.932 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 -12.909 0.059 -31.933 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 0.478 4.313 -3.879 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 5.637 5.089 -22.497 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 2.180 20.742 4.596 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 -9.107 3.476 -1.364 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 -5.531 13.331 -8.804 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 -8.312 -29.168 8.908 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 1.809 -2.239 0.325 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 -0.867 8.046 -12.381 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 -0.820 5.120 -9.245 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 3.888 -1.542 0.160 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 -39.403 11.800 -12.493 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 -6.728 -49.073 17.689 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 0.855 -2.545 -0.098 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 0.014 -0.772 2.111 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 13.484 -17.422 -18.741 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 5.014 -3.355 7.101 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 -15.934 -5.165 -17.755 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 4.354 -3.356 7.068 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 5.552 0.068 3.678 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 15.015 16.736 -6.765 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 -2.465 -10.561 -14.122 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 1.509 -3.999 -1.368 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 -20.641 1.074 -18.128 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 38.145 -10.019 10.839 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 -2.617 -4.086 -5.539 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 -7.276 4.935 -14.643 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 -5.432 1.584 14.901 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 1.760 -2.374 -7.040 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 9.041 0.555 -7.413 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 9.245 -2.284 -11.594 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 -2.377 3.734 3.618 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 -2.123 -1.181 12.807 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 -0.764 -16.090 -17.681 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 -3.736 0.052 2.428 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 4.894 2.418 -14.103 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 0.828 -4.570 12.968 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 1.839 -5.782 5.999 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 -11.717 2.618 1.619 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 2.812 -4.237 2.018 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 -2.885 -1.046 -1.753 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 0.445 -18.146 -12.458 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 -10.292 -24.414 17.467 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 -10.497 8.602 0.633 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 -13.430 12.137 -5.492 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 24.075 -13.336 -4.336 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 -2.395 -2.452 -3.440 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 -8.710 0.409 10.053 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 21.785 4.074 -13.216 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 2.105 3.964 2.389 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 -4.978 12.683 -0.591 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 2.570 -7.726 -2.941 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 -8.590 -5.720 2.224 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 -8.291 8.188 -0.822 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 14.787 -17.742 7.801 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 3.237 4.034 -1.372 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 -5.978 4.403 6.346 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 13.327 -2.988 -0.729 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 0.790 5.295 1.919 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 27.388 11.614 25.731 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 4.402 -5.664 0.700 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 -3.094 -2.765 1.915 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 5.144 -36.184 8.393 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 12.942 15.769 10.290 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 2.264 6.596 -5.300 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 -7.562 8.299 -2.041 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 -18.834 1.135 -17.853 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 0.100 -1.974 -3.677 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 22.432 16.052 18.801 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 3.063 -7.233 23.085 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 -4.647 -3.418 -2.084 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 11.913 1.791 -1.085 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 24.631 22.654 -8.911 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 -4.690 -5.634 5.237 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 -6.153 -0.750 -27.178 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 -5.904 1.187 -3.486 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 4.991 -0.228 -3.010 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 5.273 -3.285 -7.872 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 3.936 4.928 0.250 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 -0.779 1.206 -2.467 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 -3.906 0.664 -2.839 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 13.306 21.499 -16.273 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 8.446 -2.039 4.552 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 8.548 2.462 10.841 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 5.766 4.751 7.156 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 3.679 -4.303 -0.525 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 6.774 -9.009 -20.373 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 4.431 1.074 -4.427 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 1.237 -4.838 4.234 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 -1.105 10.989 15.080 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 -3.597 6.892 16.566 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 1.476 -3.690 -3.985 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 -2.547 4.194 1.111 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 11.701 6.135 -16.598 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 -1.842 2.912 -1.776 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 -7.414 29.034 -11.778 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 -3.425 15.329 -5.625 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 2.847 3.327 -0.495 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 -5.634 -3.996 22.646 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 2.019 -10.714 3.222 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 -5.151 -3.637 -1.391 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 -1.163 8.672 -2.525 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 -10.041 -9.503 0.801 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 3.525 4.303 3.573 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 -3.907 18.148 10.824 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 6.749 9.188 4.681 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 4.758 -0.151 -7.498 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 -1.646 -0.021 -11.634 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 6.764 -3.484 -5.673 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 2.350 6.794 -6.015 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 12.908 15.150 -6.630 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 -18.119 10.602 -2.859 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 3.294 -1.495 -6.429 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 -7.324 -34.223 -0.919 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 -5.030 -30.816 -1.944 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 -0.770 5.227 2.171 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 -4.051 6.025 6.150 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 -4.130 -6.468 -2.222 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 5.413 6.937 7.765 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 11.536 -29.497 20.839 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 16.133 -32.667 21.824 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 1.936 8.686 -5.555 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 2.684 -9.649 18.569 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 -18.130 27.286 -8.446 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 -2.523 -0.836 -0.313 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 8.029 -2.509 28.183 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 22.938 -0.991 1.547 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 0.322 -1.072 2.453 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 10.053 5.140 -1.882 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 10.661 1.833 -1.056 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 2.064 -0.843 -8.982 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 1.495 4.670 -20.078 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 2.601 1.897 -11.894 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 -3.643 0.287 -5.639 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 -6.522 10.516 -6.614 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 -11.126 -1.086 -7.070 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 5.253 0.570 -3.755 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 1.811 8.971 -2.069 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 -0.812 -0.834 -3.290 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 6.023 4.619 -5.083 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 21.284 -16.572 8.046 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 17.510 7.814 20.046 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 -1.127 4.891 -3.900 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 10.390 18.355 -14.593 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 -8.359 0.392 6.206 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 7.329 3.926 -3.033 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 5.450 -4.975 -4.324 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 3.785 -18.904 -5.550 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 1.521 2.900 0.686 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 6.622 26.461 17.853 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 -34.734 0.763 5.131 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 -2.265 -3.161 3.036 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 13.324 -0.167 9.114 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 -12.273 -19.269 -10.994 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 3.249 -3.330 -8.833 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 2.221 4.860 -5.013 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 1.434 4.180 -14.085 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 3.968 -4.761 -3.281 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 -16.961 4.649 7.756 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 -1.393 15.189 12.336 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 4.076 -0.160 -1.965 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 18.228 1.985 -26.137 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 23.103 -10.659 5.233 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 9.983 -2.724 1.308 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 14.936 18.882 -28.118 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 -5.958 -5.630 -8.642 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 1.984 1.826 -1.713 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 -17.335 -4.133 13.043 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 -12.404 -7.446 -9.142 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 -1.598 0.674 0.364 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 -18.803 3.380 33.532 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 -7.289 -15.169 11.437 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 3.708 -2.803 0.818 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 -3.660 1.749 3.103 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 14.613 -4.226 -4.398 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 2.986 1.820 -1.624 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 -8.877 -1.671 -6.710 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 8.470 0.045 -1.126 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 1.285 -5.321 0.892 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 0.734 4.200 29.203 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 -23.695 -8.441 -6.780 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 0.600 -8.696 3.134 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 -28.211 -9.604 -5.754 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 13.114 -19.462 -16.816 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 -3.259 8.620 -3.271 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 7.023 -6.712 14.068 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 6.613 16.481 12.187 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 -4.061 1.872 1.124 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 -12.240 6.837 -23.739 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 10.190 -24.613 -0.987 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 0.652 3.502 -1.543 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 -7.406 28.313 1.719 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 -1.900 4.898 -15.648 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 0.506 0.217 0.045 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 8.421 -5.845 16.703 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 10.071 -30.964 -2.537 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 -3.086 -0.584 -0.660 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 -12.357 2.266 37.390 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 -27.539 -26.958 31.700 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 3.331 -4.242 0.776 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 19.104 5.471 -10.495 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 8.206 18.367 6.765 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 -3.675 -0.374 0.280 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 -22.694 1.967 -15.987 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 -14.340 -14.612 20.351 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 -7.107 -1.210 6.619 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 -21.913 -29.830 -2.610 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 -21.095 13.489 -2.246 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 4.585 -5.812 3.607 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 4.729 -13.473 -4.531 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 5.532 -3.406 -3.785 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 -1.821 -6.557 7.636 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 19.161 6.716 12.571 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 28.129 1.612 5.353 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 -1.548 1.332 2.312 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 15.290 -15.679 -6.588 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 1.824 -0.679 1.297 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 -5.350 1.313 -0.086 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 -5.609 -10.043 11.773 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 -10.532 15.630 2.918 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 -2.265 -2.330 -3.960 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 2.591 1.241 -28.723 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 7.784 0.918 -12.859 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 2.623 1.558 6.698 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 -7.827 8.489 6.091 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 6.788 4.850 17.663 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 -0.243 6.019 -5.661 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 -6.497 16.072 -14.471 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 -8.166 4.826 -35.991 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 5.677 2.315 3.746 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 3.391 -9.099 -5.590 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 -20.912 17.971 9.662 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 0.491 3.789 8.179 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 12.690 19.730 15.621 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 -11.318 -9.537 -4.600 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 -2.501 -8.225 -2.038 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 -15.642 -24.123 -6.590 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 -7.247 -3.672 -16.682 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 -3.421 -0.174 0.131 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 2.580 -5.399 -4.158 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 1.782 6.694 3.418 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 0.101 3.586 3.406 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 14.694 -7.483 -6.257 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 -11.636 9.812 -13.248 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 2.711 2.508 -1.858 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 8.473 1.650 -1.459 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 7.952 0.119 -1.776 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 -1.945 -2.901 -3.196 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 -4.917 12.056 -13.621 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 -1.609 -3.356 9.037 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 2.471 -5.928 -3.206 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 5.989 4.335 -6.780 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 -0.817 -5.808 -4.271 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 0.836 5.396 7.844 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 6.908 16.357 19.949 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 -27.295 -0.439 19.715 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 0.061 1.461 -3.183 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 -4.914 -3.433 -0.728 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 10.932 -0.635 -2.495 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 -0.063 -3.576 2.996 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 1.603 -4.611 0.497 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 0.450 -4.164 -2.579 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 0.528 2.399 -4.775 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 1.904 3.664 -1.939 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 -0.557 2.913 0.360 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 3.001 -9.309 -5.108 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 -12.284 -1.202 -0.553 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 5.340 8.076 6.026 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 -11.110 -4.074 5.435 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 -20.241 -13.449 9.926 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 -3.676 14.688 -11.714 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 2.505 -9.806 -5.454 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 9.576 -7.672 -1.985 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 -0.451 -12.008 -4.053 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 6.098 -2.866 2.904 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 1.173 3.358 0.452 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 8.171 -2.469 3.896 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 0.535 4.869 -2.717 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 -7.388 8.157 -27.946 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 19.737 -2.481 -5.396 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 -0.517 -9.602 -3.831 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 -21.365 14.090 4.882 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 7.556 -28.409 -8.763 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 2.076 6.195 0.310 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 -2.925 15.621 7.869 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 5.703 4.597 4.735 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 3.250 1.911 2.690 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 -9.857 -1.344 -17.689 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 -11.278 -2.153 4.368 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 -3.504 1.448 -2.843 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 -4.029 -4.630 -9.908 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 -2.583 4.534 1.849 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 -5.632 5.447 -2.159 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 -4.125 -21.433 -4.324 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 -1.128 -16.630 -23.655 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 -3.741 0.571 -1.957 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 -18.643 19.700 -3.911 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 -10.183 -14.132 17.626 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 4.672 2.121 -4.742 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 24.441 8.305 -7.199 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 -3.962 -0.142 17.613 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 0.978 1.529 2.541 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 5.252 -4.983 5.660 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 -2.151 7.075 11.939 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 -4.354 -5.738 -3.307 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 -2.103 6.017 12.726 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 27.457 4.978 -4.695 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 0.722 0.431 -4.955 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 7.308 13.622 -4.804 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 -8.732 1.673 -4.136 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 -1.448 -5.533 4.868 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 -4.161 -10.182 3.126 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 -2.689 2.993 1.722 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 4.957 -1.250 4.646 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 -5.033 -2.360 20.505 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 -10.061 8.575 17.738 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 -0.162 -2.871 2.230 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 6.257 -15.176 19.915 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 -14.194 -6.330 11.185 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 -2.767 -3.022 -1.067 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 -1.876 14.486 9.080 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 -1.414 7.336 5.119 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 3.566 -2.483 3.089 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 -17.897 0.725 16.352 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 -2.535 -6.975 -7.139 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 -2.699 1.198 -1.052 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 -14.527 6.797 0.149 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 -14.667 2.230 9.222 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 -1.771 -3.714 -2.602 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 21.058 -6.929 -12.721 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 -14.786 10.667 -10.978 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 -5.533 -1.628 4.925 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 1.968 2.159 0.357 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 -9.500 -2.544 -1.931 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 1.534 1.837 -2.579 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 17.730 4.288 -17.460 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 6.091 -18.660 8.079 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 4.310 1.964 0.505 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 1.823 -13.629 -18.664 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 18.508 -4.736 -16.380 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 -3.477 1.217 12.046 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 5.230 10.977 3.584 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 -8.214 9.374 4.029 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 5.529 9.037 -3.925 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 10.842 -1.010 -10.985 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 11.739 0.049 -6.110 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 1.728 2.289 6.753 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 -5.882 -1.013 3.660 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 -0.729 19.856 5.194 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 -1.594 -5.430 1.330 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 -8.007 -8.841 11.431 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 21.185 10.085 -9.189 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 -4.612 3.560 -0.071 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 -22.051 -0.961 -1.315 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 -3.780 -8.351 -5.220 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 0.578 -2.964 0.222 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 -5.660 15.929 10.383 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 -0.195 -1.148 -5.519 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 1.797 6.390 -1.653 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 4.675 -8.225 -4.742 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 -0.840 -2.521 -11.474 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 -2.289 9.878 0.194 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 -4.110 0.906 -8.318 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 -10.720 -14.903 -27.303 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 1.732 2.567 -1.127 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 0.715 0.708 -4.642 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 14.372 18.401 15.479 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 -0.949 -2.509 1.825 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 0.774 -38.380 2.603 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 6.761 -2.539 -9.910 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 4.797 -0.320 -4.015 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 -8.626 -7.235 5.676 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 17.357 -8.032 -9.383 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 -2.044 -2.110 -2.637 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 -9.680 -20.016 3.927 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 -3.699 -7.998 -4.401 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 6.496 2.180 -1.946 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 -30.227 12.945 -11.601 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 -23.419 -21.525 -45.033 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 -8.145 8.386 0.111 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 30.117 4.917 -5.553 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 12.730 1.233 -0.747 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 10.061 0.441 8.539 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 -15.961 8.980 23.033 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 9.576 -11.127 -26.844 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 3.388 -4.336 -2.975 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 24.357 40.613 -5.759 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 -1.678 4.481 12.573 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 -9.193 -4.239 4.587 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 -14.387 22.214 -5.272 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 -9.706 -6.641 9.858 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 1.792 2.964 2.879 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 5.181 18.019 8.741 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 19.955 12.275 2.137 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 -6.227 2.565 -5.363 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 19.087 -8.500 -9.435 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 21.086 -3.940 -9.250 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 -0.000 4.000 1.097 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 0.700 23.017 -14.884 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 11.504 7.030 10.952 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 -3.959 -0.284 -1.302 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 11.831 -46.761 -9.538 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 22.874 4.196 -5.175 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 -0.574 10.756 -2.453 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 -0.299 13.123 3.169 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 3.460 13.287 17.211 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 -2.818 2.619 2.550 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 38.486 -21.410 7.430 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 20.840 -24.367 -11.334 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 2.218 -7.775 4.511 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 21.770 12.468 -16.929 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 9.252 13.385 -19.006 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 2.944 2.269 0.171 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 8.951 8.064 -3.047 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 -0.987 -4.086 13.412 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 -0.191 -0.667 2.493 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 -13.475 -0.353 8.904 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 -13.880 -12.217 8.686 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 1.166 -6.072 -0.215 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 8.599 -9.269 -2.740 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 -10.886 5.119 39.808 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 5.730 -1.472 -1.391 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 12.591 -1.355 -7.060 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 7.542 -3.967 -3.487 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 -5.281 -1.212 -0.547 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 28.776 3.731 -14.931 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 -7.783 3.591 -8.452 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 -2.573 3.061 4.826 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 -11.380 -27.604 -17.033 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 20.280 12.385 -18.145 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 -6.360 -1.766 8.612 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 5.180 6.067 12.602 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 -16.514 8.853 -3.369 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 -0.016 -6.961 -0.394 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 -3.907 -11.100 2.349 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 22.057 -13.911 19.847 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 7.066 10.910 -5.508 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 16.804 5.983 11.785 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 24.150 -4.330 0.077 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 -0.799 4.716 2.216 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 0.509 4.211 0.930 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 0.153 3.339 -2.970 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 -0.246 2.045 -7.578 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 -2.510 -3.978 -9.169 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 13.678 16.340 -15.969 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 6.137 -0.369 -1.119 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 10.686 6.294 -13.886 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 -1.323 -10.562 17.968 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 -4.191 2.403 1.723 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 -3.563 -27.045 -11.567 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 -15.430 6.753 -20.381 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 -0.122 -1.795 -3.193 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 -27.967 -32.660 -15.172 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 7.568 5.727 -32.079 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 1.872 -2.326 -2.634 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 -5.634 -5.999 6.961 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 3.492 -13.295 2.591 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 -0.018 0.749 11.892 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 10.192 30.150 24.202 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 -32.401 -1.803 19.261 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 7.958 -1.208 -1.670 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 22.872 2.939 11.155 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 12.740 12.322 -17.580 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 -0.479 -3.986 -2.819 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 -9.358 6.288 -17.235 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 -8.149 10.622 10.114 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 2.309 -2.244 3.061 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 -9.265 -26.864 10.661 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 -3.479 11.885 -26.668 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 0.439 -1.909 -4.109 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 1.850 -3.638 -3.044 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 4.140 -7.987 -0.611 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 0.886 -3.303 1.995 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 2.323 6.344 1.017 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 3.646 0.510 3.040 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 1.426 1.865 -0.905 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 9.418 -13.769 4.409 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 -0.333 9.148 -2.793 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 -5.174 -1.547 -2.887 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 -8.019 -3.445 2.909 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 5.617 -0.500 -10.917 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 8.185 -2.559 4.749 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 4.896 3.908 1.838 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 6.014 -5.614 7.084 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 -2.807 -0.474 -7.756 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 -0.063 7.642 -9.559 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 -1.002 -1.025 -39.495 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 -3.987 2.330 2.041 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 -23.229 10.000 0.455 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 20.374 -2.226 -4.272 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 -1.534 -3.304 -7.769 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 -7.721 -0.823 -9.205 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 4.152 12.184 -11.160 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 -4.205 -5.320 -1.625 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 -5.369 -21.544 1.778 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 -4.453 -5.037 -17.792 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 -1.067 3.714 -2.888 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 -13.849 0.921 -33.004 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 6.388 -15.275 5.707 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 2.936 1.754 3.291 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 -11.688 -2.151 3.311 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 18.773 11.303 3.210 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 4.335 -0.133 -3.058 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 -29.991 28.946 -1.525 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 13.339 3.741 29.777 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 3.902 -3.628 -3.267 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 -0.495 5.069 3.451 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 -0.392 5.325 -3.041 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 1.411 -3.211 7.452 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 6.062 -5.306 12.682 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 6.281 -5.439 12.947 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 0.770 -6.175 1.068 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 14.514 12.108 4.039 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 -17.101 -2.389 15.335 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 -2.117 -7.252 4.190 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 4.743 2.355 19.969 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 9.429 9.749 14.169 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 -1.610 -0.654 5.972 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 -3.381 -4.671 14.349 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 -12.769 -0.255 -1.424 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 0.665 2.337 -3.343 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 6.678 -2.237 3.947 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 -22.319 5.298 1.199 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 -0.184 0.242 3.997 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 15.176 -8.575 -16.751 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 -0.587 0.750 1.548 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 -3.312 -3.381 -0.373 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 7.589 2.074 15.951 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 -16.324 2.650 3.909 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 -7.570 3.090 2.146 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 0.150 10.864 6.448 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 -17.244 8.004 1.337 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 -3.199 2.720 -11.127 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 -1.964 -2.249 -15.806 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 -2.120 -21.943 20.048 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 2.611 6.333 2.377 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 8.681 23.292 7.393 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 -17.761 -38.604 -13.934 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 -2.787 -3.195 1.412 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 -6.827 -3.906 27.252 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 -4.405 8.966 8.878 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 2.886 3.191 -1.619 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 14.117 -12.397 -1.991 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 -5.051 -22.446 -6.002 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 -0.801 4.056 -4.491 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 12.704 -24.568 -8.156 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 0.935 -22.698 -12.066 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 0.253 -2.426 -6.005 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 9.674 -13.782 -10.746 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 4.159 -0.674 -1.352 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 3.463 1.423 1.922 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 1.521 5.780 10.002 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 2.302 0.830 7.818 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 3.216 -4.751 -8.518 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 -5.280 -5.488 -6.524 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 9.667 -10.936 -14.346 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 1.506 3.671 -0.455 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 -7.153 9.794 2.206 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 8.263 13.974 -5.602 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 -4.455 0.075 -2.452 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 -19.617 0.183 16.893 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 -25.609 -2.561 5.017 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 -10.156 1.687 -3.891 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 -6.831 6.580 -8.109 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 -14.923 1.236 -9.076 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 3.137 2.592 5.467 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 10.280 12.052 -38.188 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 -8.320 -5.719 10.884 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 -5.600 -0.723 9.163 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 -6.410 -2.788 9.967 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 -6.888 0.084 8.104 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 5.052 0.185 -2.642 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 -19.017 32.007 -8.169 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 21.637 5.668 -19.054 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 3.767 0.583 1.186 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 -8.214 0.960 -25.389 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 0.040 2.941 3.817 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 -2.994 -1.095 -0.953 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 2.239 -7.185 -3.094 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 -9.605 -5.401 -0.955 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 1.430 -5.293 6.155 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 2.114 -2.630 4.821 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 -24.491 7.975 14.752 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 -9.185 -2.723 5.932 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 -13.022 5.123 17.289 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 -16.001 -1.963 -6.031 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 0.839 1.687 -0.746 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 0.941 -0.304 -3.941 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 8.416 -11.584 1.080 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 1.738 6.374 2.378 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 3.341 9.071 3.659 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 -3.164 8.065 7.207 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 4.532 -3.692 0.169 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 11.558 9.855 22.278 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 -6.235 -12.467 -17.822 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 -9.391 5.677 0.904 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 -9.480 -2.316 2.578 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 -13.140 14.296 2.846 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 -0.832 0.167 -3.985 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 -0.550 2.739 0.587 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 7.047 11.236 -17.821 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 -0.793 -3.472 -1.771 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 3.599 10.022 12.841 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 14.048 -21.437 7.319 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 -4.968 -2.335 0.613 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 -11.173 -14.416 7.342 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 10.995 -7.638 -1.175 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 3.367 -4.100 8.212 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 22.873 2.010 -16.174 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 -14.032 18.952 11.860 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 2.670 -4.974 1.773 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 -9.780 -10.062 -15.940 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 11.604 17.672 -16.267 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 -1.425 1.567 8.383 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 -1.489 -7.067 -3.560 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 15.453 -10.888 3.585 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 -5.753 0.535 -6.821 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 -21.092 9.147 -3.402 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 -7.082 12.670 6.757 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 8.427 7.693 11.045 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 9.317 -20.979 5.699 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 -18.635 13.151 12.411 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 4.585 -4.127 -6.492 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 36.909 -8.367 -0.446 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 -12.626 -1.006 3.518 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 0.651 -1.252 -2.825 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 17.924 -8.349 -25.155 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 -6.031 -6.270 28.489 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 0.079 -10.025 4.955 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 3.676 8.345 15.994 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 1.349 2.755 19.214 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 1.381 -0.476 1.596 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 -20.450 6.834 -12.287 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 -9.080 -19.545 20.072 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 1.605 -0.892 -3.621 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 9.787 -2.994 13.114 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 -25.349 22.106 18.758 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 -0.561 2.849 1.468 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 -0.292 -9.618 -4.893 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 -0.594 -4.061 11.941 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 -0.306 -1.873 -5.507 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 10.180 3.253 -13.477 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 -19.052 1.725 -9.169 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 -0.573 1.690 8.229 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 16.098 -7.381 19.917 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 1.313 2.783 24.732 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 2.820 -4.900 -0.967 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 21.268 11.537 12.732 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 -7.673 15.805 -21.245 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 6.565 5.476 -7.747 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 14.377 17.254 -23.716 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 -15.697 -5.813 -8.427 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 -0.427 -7.604 2.239 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 7.027 -7.376 14.146 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 9.249 -2.291 -9.275 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 -3.661 -3.795 1.350 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 -4.077 -24.058 8.703 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 -4.436 5.707 -0.234 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 -3.523 1.223 -1.949 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 -12.461 0.536 -0.522 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 11.020 2.160 -3.418 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 4.516 -5.837 1.078 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 6.170 15.603 -7.604 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 -24.229 -17.486 0.821 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 2.062 -5.518 -1.041 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 11.744 -5.806 -5.190 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 4.388 3.695 4.901 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 6.506 3.242 5.814 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 9.182 -0.261 -6.292 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 0.838 2.937 31.001 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 2.172 -5.919 2.535 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 14.413 5.527 -8.343 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 -2.323 -2.391 6.450 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 4.640 -0.677 -6.691 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 -6.110 0.047 -8.522 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 21.855 -2.691 -2.503 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 -5.088 4.549 -2.743 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 -17.395 10.844 5.807 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 6.590 0.667 -5.394 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 -3.568 -6.600 -3.508 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 -7.069 -5.991 -2.872 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 -4.662 -10.054 4.676 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 -5.659 -4.438 -6.049 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 -26.324 -13.231 -32.017 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 20.716 16.512 7.767 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 -1.297 4.902 -0.050 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 9.578 -5.970 -7.645 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 -12.423 -3.339 6.393 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 3.393 5.055 0.194 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 -14.338 -20.326 -6.818 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 -7.642 10.513 -23.546 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 -3.879 4.091 -1.852 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 -1.704 6.626 -19.766 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 -3.729 3.628 10.298 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 -2.896 0.642 -6.130 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 -15.231 -11.197 -6.272 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 -17.417 -13.262 -2.336 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 3.789 5.902 4.159 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 -14.107 -2.989 6.123 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 9.063 13.605 22.824 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 -4.438 -0.162 0.244 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 -15.655 -7.801 5.216 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 14.028 4.703 -20.612 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 1.760 -3.665 -10.577 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 22.166 -8.374 13.445 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 -2.809 10.547 5.812 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 1.989 1.968 -2.548 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 7.391 2.717 -13.001 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 4.146 12.284 -5.859 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 1.186 1.045 -5.041 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 13.215 6.492 19.245 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 -14.207 -4.205 -9.839 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 0.144 -0.822 -5.507 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 -13.461 -9.237 -8.801 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 -5.887 -21.711 -2.424 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 1.911 -0.577 2.414 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 10.227 2.369 0.621 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 4.752 5.286 -3.144 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 2.427 -7.474 1.974 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 7.749 10.856 -7.858 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 13.086 -19.907 -11.701 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 -3.653 2.907 3.183 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 -14.257 3.178 -1.944 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 2.376 3.671 -5.960 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 -0.392 4.665 -3.829 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 -6.246 3.877 -17.035 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 1.828 -2.632 2.900 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 -3.295 2.855 -0.926 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 -19.673 -3.111 -4.064 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 30.179 0.258 -9.558 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 -3.022 4.062 4.295 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 2.286 -2.058 -17.781 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 4.696 -25.465 -3.121 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 0.940 -1.138 -2.332 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 -7.789 -8.162 -2.962 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 2.130 2.068 -10.695 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 0.700 -5.144 -6.089 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 6.345 -0.293 -14.189 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 24.971 1.392 -1.052 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 -0.934 -4.255 -0.051 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 6.960 7.588 2.964 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 18.460 -35.545 -13.805 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 0.839 -3.676 6.210 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 -16.065 -8.773 -7.377 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 17.667 3.229 25.751 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 6.634 0.279 4.461 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 14.961 10.188 -20.919 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 8.899 2.212 2.482 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 1.886 11.190 6.633 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 -2.681 14.858 0.911 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 -11.901 7.719 2.119 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 -2.877 0.916 -1.338 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 -15.437 1.596 4.362 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 -2.926 10.786 0.381 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 1.701 0.145 4.615 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 1.684 0.541 4.446 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 0.670 -0.155 3.742 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 4.365 0.912 -0.227 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 -2.586 -0.771 -1.007 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 5.595 -8.249 0.474 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 5.112 -1.796 0.405 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 16.579 -8.254 -9.377 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 34.192 -13.391 -21.264 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 -3.469 2.940 -2.980 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 -2.160 4.113 9.423 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 -18.996 -11.055 -0.522 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 0.503 -0.156 -2.993 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 30.800 -5.294 -8.642 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 6.908 7.624 -21.123 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 1.558 2.489 5.817 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 -15.409 -7.411 6.194 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 32.619 -1.682 -10.944 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 3.549 5.666 -5.112 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 2.492 -0.379 -10.780 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 17.350 41.912 31.695 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 -5.010 -2.158 6.351 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 -12.461 -8.428 -4.588 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 -0.501 -11.336 -2.512 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 4.922 -0.665 3.481 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 -23.359 -14.788 5.563 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 19.487 -7.128 33.010 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 6.751 -4.710 -0.171 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 -0.791 -7.644 -6.489 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 4.029 -9.097 10.999 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 2.251 -5.048 1.984 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 -12.145 -16.385 18.676 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 9.433 17.291 9.986 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 2.019 4.792 -0.224 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 -8.770 -13.730 -19.033 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 30.971 13.239 -14.433 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 1.530 -0.285 3.714 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 -10.403 -8.984 19.206 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 -2.408 -10.586 -14.187 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 -6.082 1.915 6.639 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 3.779 -1.898 1.294 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 -13.262 17.947 5.209 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 -3.834 -1.147 -0.136 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 -14.286 8.778 5.389 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 16.059 -15.682 16.695 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 -0.829 -3.689 1.423 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 -18.973 -17.367 -3.830 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 15.201 10.253 11.343 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 0.110 5.083 -0.506 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 4.198 -1.813 -9.381 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 0.298 35.229 -10.344 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 7.990 -2.478 -0.195 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 9.161 -10.793 5.540 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 9.702 -10.055 -2.724 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 1.395 -3.728 6.342 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 17.915 -9.838 6.727 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 -4.684 -12.365 7.123 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 -0.367 5.873 -0.002 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 -0.929 15.580 -5.479 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 -6.582 0.051 -4.747 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 7.571 -4.556 4.137 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 13.825 5.569 1.708 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 9.042 -6.045 2.130 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 2.585 0.657 -1.401 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 8.733 18.939 -8.221 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 2.795 -5.826 -6.303 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 -1.598 -7.004 -6.743 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 -7.977 -3.255 -5.969 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 -8.182 -12.509 -17.429 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 1.476 -0.635 0.338 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 -26.243 -5.534 -8.782 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 11.315 -3.274 -21.216 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 -2.415 9.817 8.219 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 11.280 -1.205 7.861 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 -5.358 0.499 2.766 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 -3.996 -1.325 -0.686 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 -3.649 26.835 -2.311 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 2.534 -35.890 5.482 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 -1.225 -8.805 -1.078 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 -5.387 -33.511 -2.757 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 17.643 -7.496 20.508 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 -3.137 -0.724 9.626 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 -2.118 -1.819 6.041 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 8.886 3.108 -10.824 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 -2.215 0.229 -9.516 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 -4.919 0.031 -2.105 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 -8.053 6.947 -9.928 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 2.266 -10.506 0.204 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 8.666 5.415 -18.431 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 8.024 2.654 -8.381 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 3.452 1.974 5.519 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 -3.947 -15.703 15.153 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 -2.717 13.753 29.293 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 -5.280 -3.582 -7.033 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 6.371 -26.162 1.115 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 -20.312 -3.147 5.625 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 -9.842 5.795 4.009 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 20.760 -5.725 34.500 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 24.645 22.154 -28.065 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 -1.104 -1.886 -0.772 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 -16.684 -14.289 -16.420 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 -1.351 4.101 3.155 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 -1.555 -0.147 -5.796 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 -12.403 6.896 2.858 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 24.128 -16.385 -27.461 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 -3.453 4.598 0.398 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 11.349 2.793 -7.668 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 9.983 -0.362 -16.485 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 7.715 -0.684 8.764 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 -0.176 3.878 28.518 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 -14.487 24.260 10.532 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 -3.410 4.121 -1.535 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 -7.822 4.398 -8.481 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 6.470 -8.277 11.015 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 -1.591 -4.510 7.600 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 -20.397 -22.765 31.910 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 2.389 5.213 -6.273 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 4.037 7.120 9.101 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 1.407 12.654 3.251 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 9.596 -4.047 24.876 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 5.802 2.891 -0.867 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 -1.797 -3.053 25.841 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 6.166 -5.895 0.036 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 -3.499 -5.184 -3.233 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 -20.255 1.440 -6.544 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 11.312 1.768 -14.092 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 -3.291 1.192 1.200 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 25.520 30.636 -2.841 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 -31.004 -6.694 6.753 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 3.187 -0.133 2.110 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 1.960 -15.365 1.929 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 1.695 -15.347 2.032 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 -5.363 5.403 -1.454 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 -28.293 -11.535 -18.496 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 25.481 33.362 3.385 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 1.343 -9.984 -0.675 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 -19.253 -3.019 13.205 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 1.939 5.994 25.616 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 5.536 -0.541 -0.784 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 3.819 -2.663 22.692 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 -8.216 -4.331 2.167 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 0.143 -3.434 3.330 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 -8.349 -1.923 -0.722 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 8.679 -6.020 8.517 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 -7.212 -3.730 3.970 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 5.148 -20.013 37.945 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 9.758 -7.057 16.780 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 3.268 -5.045 -10.624 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 13.079 -6.075 -14.256 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 7.158 -1.001 -1.128 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 -5.060 -0.854 3.938 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 1.763 0.882 -8.465 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 2.764 -11.627 -1.949 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 -2.819 4.525 -0.578 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 -2.063 0.629 -2.196 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 0.724 5.546 0.845 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 -3.477 7.034 -4.677 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 12.873 7.864 -30.939 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 -0.845 -1.319 2.749 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 3.010 -1.855 6.308 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 21.754 -9.074 2.791 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 2.226 14.652 -20.333 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 2.612 -2.624 2.723 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 8.375 14.183 2.384 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 -3.540 -18.073 0.374 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 -4.916 -1.720 8.179 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 -21.933 -7.388 15.314 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 -2.761 14.943 -5.980 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 0.994 -8.832 6.143 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 -4.136 15.984 5.053 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 -27.342 -15.809 14.013 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 -2.155 3.186 7.733 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 1.302 -2.337 -8.940 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 -9.437 13.508 47.156 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 6.451 -2.190 -9.519 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 7.980 -12.898 4.833 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 -13.068 16.090 -27.053 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 1.643 -5.252 -6.682 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 9.300 -3.755 6.704 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 -10.626 -8.471 4.567 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 3.255 0.412 -0.306 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 -3.436 -1.682 -0.104 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 -10.421 3.168 18.764 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 -3.412 -2.495 5.040 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 11.956 6.064 14.008 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 -5.715 9.901 36.607 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 -0.202 -5.312 0.751 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 -8.005 17.117 -27.887 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 -5.667 -56.883 18.304 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 -0.557 -2.345 6.535 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 2.042 -0.041 -14.130 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 -6.109 -11.217 6.521 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 -4.525 1.530 -2.710 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 6.673 -15.791 21.402 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 -26.145 -16.904 -16.674 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 2.830 2.908 0.795 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 5.242 3.391 0.505 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 8.116 10.216 1.018 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 -2.437 5.434 -4.650 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 -2.141 6.743 -20.350 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 -9.976 -13.981 -8.754 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 3.697 2.196 -2.750 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 -5.981 -11.984 29.469 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 4.575 3.508 -6.652 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 2.345 2.490 -3.734 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 -5.353 -5.363 10.605 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 25.329 11.786 1.263 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 0.342 -5.899 -6.115 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 -20.001 8.823 4.519 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 27.853 -18.124 -26.750 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 -1.052 -1.216 -1.858 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 -18.509 -6.002 4.352 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 -11.850 -6.836 11.142 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 2.387 -1.667 -3.353 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 6.329 -17.668 -13.051 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 3.864 -9.103 -9.946 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 6.981 11.844 0.439 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 6.192 20.218 -7.251 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 11.513 13.587 -3.868 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 2.007 0.263 0.768 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 5.349 9.735 11.414 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 -2.278 8.196 -10.398 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 3.047 -7.644 -6.423 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 8.660 -3.804 -7.986 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 3.550 -10.255 -12.200 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 -2.608 0.828 -3.447 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 -1.195 18.831 7.407 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 10.597 -12.231 5.979 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 3.364 -4.308 2.310 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 -11.291 17.826 -10.120 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 -9.604 10.308 -9.217 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 -6.416 -5.218 10.745 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 -43.028 14.587 -2.990 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 3.881 13.412 4.145 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 -4.339 -2.978 -1.111 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 -16.101 2.862 -3.007 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 3.636 0.353 1.774 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 5.073 6.179 -6.226 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 15.123 12.268 12.722 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 -15.841 7.045 -3.626 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 -1.514 1.708 -0.846 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 -0.194 -7.518 -4.202 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 -0.539 0.281 -2.315 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 -2.309 2.512 0.452 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 -3.291 5.342 -0.307 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 3.375 -14.635 2.505 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 -6.148 -1.080 1.247 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 -14.926 -10.579 -2.114 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 -12.299 19.271 0.046 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 0.461 -1.319 -2.725 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 -14.591 12.850 22.626 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 11.004 5.112 4.406 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 -2.357 -8.917 -2.326 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 11.748 -18.105 1.871 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 -4.290 -21.443 -8.877 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 3.701 -3.142 -3.873 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 9.536 -7.265 25.621 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 -9.131 -5.549 5.440 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 -2.154 2.747 2.116 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 4.609 4.868 10.256 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 -7.649 -0.010 2.962 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 0.705 -4.742 6.422 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 -8.613 -14.300 -3.784 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 -12.319 3.740 7.689 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 -0.389 2.273 1.796 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 8.729 6.134 6.916 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 1.004 4.157 -6.420 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 1.217 2.588 -1.470 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 4.192 14.527 4.194 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 3.655 -11.878 -4.302 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 -4.176 2.941 -2.679 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 2.222 -13.159 6.612 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 -16.360 31.229 -15.456 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 -4.822 -0.598 2.793 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 15.078 -4.661 4.090 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 -3.780 11.558 11.404 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 3.504 1.552 4.098 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 6.536 -2.434 -3.096 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 7.043 6.141 0.335 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 0.950 0.761 4.130 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 -9.139 -21.266 7.698 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 -25.463 0.895 -7.594 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 4.470 1.310 7.435 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 -3.071 -10.752 20.121 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 14.280 -12.388 18.948 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 -3.114 3.567 3.272 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 8.775 -25.517 -2.579 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 11.287 23.540 -13.275 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 -2.207 -7.171 2.036 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 -1.757 2.233 5.570 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 -12.982 -7.991 0.462 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 1.930 10.198 4.120 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 12.180 -6.780 -7.336 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 -27.686 -1.061 -1.037 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 0.272 -3.139 -2.294 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 18.913 -10.843 -9.664 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 -15.550 -12.174 -13.573 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 -5.187 -1.401 -4.200 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 15.912 -7.125 -11.230 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 -8.916 -9.780 18.694 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 -1.844 -3.865 1.568 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 7.009 1.333 -13.742 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 2.403 0.294 -8.588 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 -1.945 6.193 6.460 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 11.941 13.316 5.614 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 -10.414 11.570 8.497 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 -2.212 7.576 9.949 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 -9.049 10.767 8.488 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 -18.948 3.745 -2.402 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 6.990 -3.895 -1.719 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 -4.727 -5.149 -13.487 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 -9.471 -3.174 11.646 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 -0.011 0.795 -6.399 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 5.678 -3.881 -6.200 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 -0.466 -10.077 9.655 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 -0.061 -1.415 0.062 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 7.988 -12.971 3.580 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 -12.627 -8.337 -6.806 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 -7.747 1.192 4.040 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 4.387 -0.239 4.359 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 -7.494 1.743 4.718 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 0.219 4.798 1.587 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 23.009 17.905 -7.703 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 20.621 3.677 -12.439 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 -0.604 2.971 1.739 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 11.943 -14.012 0.234 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 -14.096 14.955 8.641 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 5.211 0.986 -1.138 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 5.258 0.277 -1.700 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 6.723 -0.177 -1.320 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 6.887 -2.234 -0.873 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 -6.889 -11.150 17.151 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 8.156 13.571 -7.344 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 1.251 3.792 2.325 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 12.867 1.500 -12.902 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 8.751 -3.708 -0.857 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 5.298 -6.397 6.701 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 -14.296 -5.279 18.270 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 13.323 -6.616 15.269 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 -0.356 -9.753 0.419 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 7.688 -4.887 -29.112 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 1.572 0.362 -17.313 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 1.465 4.606 -1.929 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 -3.277 -0.846 7.495 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 -0.932 -0.364 -0.543 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 -5.012 5.554 -2.112 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 -4.219 6.940 -2.617 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 -11.347 11.065 0.891 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 -6.194 -4.282 -7.018 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 -4.353 -7.846 4.150 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 8.971 7.425 -15.348 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 -2.836 -3.559 -1.222 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 -11.714 4.860 8.593 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 -4.890 30.241 18.714 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 -6.125 1.588 -0.833 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 10.000 0.803 26.696 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 -13.597 -24.350 -1.116 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 6.280 -1.063 1.248 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 -14.765 1.623 -2.355 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 -2.830 -21.025 -2.678 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 3.141 -1.345 4.590 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 18.834 7.579 5.993 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 26.321 -17.901 27.121 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 3.888 -0.451 -2.104 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 -4.059 -5.435 8.530 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 3.927 1.590 12.231 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 -3.425 -2.793 4.221 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 -12.093 -4.504 12.033 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 -8.637 -1.812 13.993 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 -2.332 2.068 -1.131 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 -7.931 5.060 -4.996 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 -9.784 -1.124 35.454 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 -1.073 -0.438 1.393 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 6.566 -9.017 1.305 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 -5.643 1.161 -17.391 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 -1.953 -5.300 -0.756 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 -10.345 -9.709 5.101 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 -21.047 -15.514 14.749 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 -0.115 0.381 2.784 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 22.850 -1.569 10.186 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 -1.042 -3.799 16.018 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 5.623 -3.607 0.448 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 6.568 -1.325 19.390 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 2.515 -10.482 -7.641 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 2.696 10.711 -0.269 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 4.612 -7.730 2.091 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 0.798 14.664 15.676 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 1.837 4.565 3.745 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 -12.443 2.811 2.276 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 2.569 20.262 3.770 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 1.426 2.407 0.173 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 -0.939 5.777 -21.773 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 -25.933 -12.070 5.734 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 1.688 1.265 -1.559 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 -4.060 -7.325 -9.828 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 -4.628 7.110 -5.984 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 -0.613 0.915 4.045 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 -32.754 6.618 -20.214 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 6.567 2.631 16.819 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 -4.032 -5.211 0.480 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 -18.872 -19.831 4.245 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 16.760 -13.449 -1.586 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 4.629 -3.695 2.312 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 7.957 -18.765 4.006 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 2.089 2.743 -9.908 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 6.260 0.110 -2.790 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 -18.536 14.410 -6.938 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 3.430 7.402 -7.581 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 -0.820 3.352 2.455 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 5.015 17.572 -7.466 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 -21.575 6.408 -3.629 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 1.194 -1.559 -0.498 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 -3.414 6.092 -19.721 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 27.559 3.827 -0.741 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 7.837 1.214 4.520 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 -3.006 -6.570 6.187 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 29.973 15.229 0.223 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 -4.727 7.631 2.066 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 4.247 -10.858 -4.195 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 -6.614 1.823 -25.332 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 -11.482 -2.948 -1.851 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 -42.127 -3.668 23.013 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 6.163 -39.457 7.311 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 -0.235 -0.238 3.253 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 5.157 11.353 2.467 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 13.232 -13.105 8.538 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 -0.927 -4.562 -4.543 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 6.187 7.176 -0.837 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 -10.427 -17.849 -8.527 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 -0.601 2.419 -3.378 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 0.239 15.954 -0.913 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 -9.319 -9.933 -6.517 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 2.185 0.951 -4.536 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 -10.284 -15.762 5.955 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 13.106 -4.877 -4.906 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 -0.769 7.977 -2.543 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 -17.282 1.261 -3.970 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 21.080 -18.595 10.804 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 -2.208 -3.055 -2.306 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 -4.082 -10.076 3.508 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 -12.532 13.590 -21.408 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 -9.552 -1.549 -1.953 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 3.238 -4.315 -0.607 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 -46.744 0.040 -2.572 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 4.514 5.435 1.010 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 11.710 7.670 8.618 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 -5.426 8.851 -10.900 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 2.233 -5.245 -4.720 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 11.103 -18.083 -15.232 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 2.058 -12.648 -6.335 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 -1.222 0.417 -1.565 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 4.109 -2.823 -0.838 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 -3.920 -5.772 -1.702 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 -1.591 1.362 -3.222 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 -25.294 -21.058 -7.228 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 -4.287 7.340 -3.046 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 -4.417 0.585 -0.870 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 3.842 20.734 -26.042 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 3.170 17.993 0.882 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 -2.919 7.197 -1.898 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 -1.172 -8.300 -22.009 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 -6.627 6.740 -0.588 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 -3.636 2.954 4.269 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 -14.043 5.015 11.286 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 -15.658 6.329 8.707 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 -6.348 -1.021 -2.184 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 10.587 -9.141 -6.567 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 -0.714 0.420 -22.110 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 5.876 -7.386 0.060 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 36.591 33.016 -50.828 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 5.495 11.367 -3.635 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 -1.725 -1.927 -4.316 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 -5.905 8.256 24.558 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 -3.497 20.808 -24.737 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 3.240 5.405 3.426 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 5.037 -10.340 8.757 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 -5.693 -22.638 -9.841 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 -1.258 -3.349 0.542 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 -11.863 -10.725 -3.974 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 2.251 -14.861 -0.901 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 2.404 -3.724 0.736 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 6.466 -9.007 -1.952 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 9.510 -8.680 2.985 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 -3.526 -3.982 7.850 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 40.521 15.463 12.302 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 5.803 -13.589 -2.537 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 2.702 1.359 -0.002 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 -26.924 -12.459 -13.411 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 -3.062 18.580 21.647 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 1.462 -3.059 3.757 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 -5.225 -4.915 10.863 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 6.055 -15.032 17.670 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 1.098 0.012 0.709 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 4.757 4.898 2.364 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 -1.805 9.468 4.300 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 -2.868 3.605 1.849 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 -10.524 -7.087 3.961 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 4.170 4.284 -0.335 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 0.157 4.688 6.226 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 -2.851 7.633 16.745 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 -1.242 -9.800 9.270 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 -7.071 -3.932 -8.366 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 -3.360 -8.139 12.518 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 -20.016 7.079 -39.380 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 -1.305 2.140 3.124 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 -11.243 3.830 4.072 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 -1.230 -6.570 9.968 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 -0.454 -1.149 -1.000 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 -6.165 -4.147 -5.044 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 15.622 4.779 -11.260 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 -5.811 -1.245 -1.902 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 45.515 -17.769 -1.571 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 5.501 4.566 2.103 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 -10.253 5.009 -3.495 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 2.484 2.754 2.811 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 -16.481 18.010 2.060 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 0.103 1.056 -4.443 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 1.805 -3.532 5.175 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 -0.544 -6.463 -12.063 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 -5.918 2.165 0.257 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 -5.036 -3.642 7.174 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 -9.307 4.452 -6.828 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 0.200 3.691 -0.032 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 3.397 1.209 4.337 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 -11.316 12.606 -10.692 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 3.477 1.846 1.213 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 -3.742 4.199 -1.084 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 -3.632 -4.821 15.018 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 2.190 2.680 15.955 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 7.382 -1.240 15.614 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 -25.051 -0.447 12.350 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 -2.558 0.592 -4.008 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 -7.788 -2.240 1.729 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 9.811 24.599 2.863 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 -3.127 2.016 1.433 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 -26.510 0.549 8.251 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 3.614 3.974 -4.069 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 1.675 -4.639 -2.981 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 -9.818 -17.045 5.132 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 8.336 5.507 7.257 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 -3.391 -1.702 3.024 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 16.792 -21.759 2.255 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 -16.362 15.088 6.478 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 -2.541 0.886 -0.663 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 -9.391 -14.462 -6.347 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 -3.531 11.992 -16.284 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 5.394 0.848 -4.398 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 23.815 -15.286 3.989 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 8.334 -4.715 -14.727 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 1.166 1.312 6.872 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 11.004 4.106 10.605 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 -1.165 2.622 2.464 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 -1.822 7.712 -6.795 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 -18.157 18.681 15.048 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 28.428 21.585 -26.813 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 2.758 2.863 -1.215 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 6.200 -0.840 -0.330 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 1.994 11.229 -10.399 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 -4.764 0.324 -0.129 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 -7.353 -16.122 -14.312 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 -4.083 7.120 5.737 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 0.314 -1.154 -2.739 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 0.103 -3.679 -4.154 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 2.649 -9.444 -10.873 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 6.519 -0.206 -2.127 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 6.522 6.607 10.352 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 3.732 7.998 20.730 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 6.934 -0.213 3.048 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 3.009 3.084 26.095 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 7.105 -14.095 -15.031 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 5.846 4.137 2.042 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 19.347 -8.344 19.076 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 -3.217 6.299 -4.843 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 -8.700 -5.383 -7.883 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 -18.478 2.743 -13.618 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 19.234 -9.660 -1.843 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 -11.473 2.580 6.267 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 5.273 6.144 -5.359 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 -27.964 4.491 -3.469 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 -1.051 -9.796 2.778 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 -19.242 -8.202 19.377 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 5.120 11.922 -18.390 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 -0.025 -11.405 0.051 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 9.546 22.275 11.901 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 -1.990 -18.421 18.877 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 -0.563 -2.443 3.758 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 -27.352 -7.478 4.556 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 23.406 4.556 -5.754 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 -7.417 5.858 0.245 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 -7.165 22.205 17.301 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 -16.471 9.065 7.803 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 7.042 -3.875 -0.937 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 -9.431 9.407 3.426 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 17.298 -13.459 8.327 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 -0.283 -1.680 6.219 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 -2.984 -9.760 1.792 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 -4.684 -14.341 -2.438 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 -2.146 5.476 -4.309 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 -4.027 0.321 -1.856 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 -4.103 19.991 -7.988 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 -3.392 8.574 -5.849 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 12.200 -2.280 -12.081 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 -17.840 -10.694 -17.501 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 -6.281 -1.449 1.759 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 -7.719 -11.576 -4.027 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 1.483 21.186 -3.682 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 7.136 2.773 -1.508 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 26.361 16.965 21.019 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 14.005 -0.371 -7.773 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 -0.875 1.797 4.867 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 3.480 -5.343 -3.592 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 5.505 -0.141 14.380 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 -0.078 -2.511 -0.544 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 7.514 22.718 -14.449 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 10.127 -10.644 9.543 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 0.351 -6.338 -3.355 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 6.367 7.919 -10.178 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 -16.938 11.930 14.889 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 -0.023 1.569 1.145 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 -9.948 4.167 -5.632 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 14.423 -5.795 6.540 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 2.898 0.609 3.893 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 0.827 10.249 16.493 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 -19.891 -6.116 2.717 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 -0.647 -5.615 8.048 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 8.971 -12.802 -4.023 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 10.637 8.723 7.187 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 1.958 3.993 4.065 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 -4.477 14.833 -1.071 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 -7.669 4.100 -2.607 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 -4.004 1.084 -5.735 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 -2.692 -4.897 -3.638 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 -3.643 15.752 -11.131 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 -6.535 13.037 1.586 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 0.808 8.875 -2.701 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 6.972 8.951 2.098 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 0.091 -1.227 -0.391 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 14.604 -7.515 25.422 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 -0.637 0.762 -14.966 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 -3.249 7.328 -7.323 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 -6.608 13.796 0.704 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 -13.323 19.076 -13.542 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 1.741 1.216 2.678 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 7.355 2.466 0.837 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 20.224 -0.922 -5.871 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 -0.142 -10.176 -3.515 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 -4.002 -5.328 -0.731 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 -10.967 2.334 10.586 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 -0.640 1.752 1.672 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 3.416 -17.288 4.606 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 0.643 -1.016 2.598 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 3.216 10.364 -0.151 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 -4.618 7.787 -0.714 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 1.484 15.804 4.534 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 1.415 4.062 0.214 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 16.334 1.017 3.098 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 -21.085 -1.290 -1.719 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 7.476 -1.435 0.932 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 7.484 -27.563 2.811 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 5.726 -4.666 -13.941 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 -2.761 -3.058 -6.162 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 11.816 -2.887 -22.916 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 4.144 -3.661 -16.099 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 8.111 -0.051 5.292 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 10.661 -3.627 5.436 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 -3.890 13.885 4.381 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 5.009 7.761 -2.159 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 5.004 7.172 -6.317 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 5.970 0.490 -16.878 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 1.886 5.510 5.014 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 -8.634 12.907 1.962 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 1.186 -1.173 -9.508 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 3.930 -0.093 7.764 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 -3.531 1.245 -7.106 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 5.039 1.786 13.211 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 2.678 -0.351 2.204 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 7.110 1.459 -3.957 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 4.396 -1.314 5.192 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 3.098 7.110 4.043 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 7.013 11.239 2.115 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 -1.676 6.679 2.328 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 4.115 -0.048 3.504 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 5.624 -0.075 2.123 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 15.089 6.101 4.670 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 -0.024 -0.947 -4.038 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 2.564 -7.421 -11.567 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 -0.225 3.139 5.044 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 3.166 -3.055 -3.562 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 -10.480 12.082 -2.367 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 4.802 -19.039 -5.227 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 -4.562 3.990 -0.841 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 -4.395 -0.912 9.862 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 -4.781 1.009 6.107 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 0.894 -2.248 -1.700 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 -5.524 -11.450 10.565 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 -26.117 -6.009 -13.705 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 -5.866 -0.369 -3.913 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 -9.852 -26.133 -4.531 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 1.729 -12.270 6.587 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 -4.232 -1.094 2.832 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 -1.687 1.253 1.449 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 -15.277 -13.826 -2.568 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 2.143 2.977 1.886 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 5.219 7.887 -2.436 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 6.404 -7.462 10.493 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 -1.690 -4.662 4.759 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 5.784 -16.113 -19.145 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 25.580 2.680 7.579 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 2.232 -8.140 -2.188 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 5.628 -2.650 1.513 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 -1.674 -8.375 3.218 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 -1.326 0.854 2.519 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 18.384 8.493 -6.882 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 24.728 21.071 3.393 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 -0.062 -2.928 -3.667 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 8.266 -5.896 8.730 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 15.363 18.824 -1.728 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 2.049 -1.417 -11.082 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 -21.030 11.217 -1.919 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 -12.510 14.905 -9.126 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 6.807 3.406 -6.497 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 -6.487 -9.870 -1.082 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 26.205 -4.613 -6.432 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 -3.715 -6.135 -2.636 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 4.425 5.525 -3.599 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 -22.536 -12.691 3.471 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 -4.192 0.352 -0.903 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 -5.490 -0.652 1.843 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 2.348 5.120 -4.373 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 1.059 -5.636 4.191 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 -5.919 -9.006 -4.138 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 2.254 10.562 -19.753 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 -2.615 -3.838 2.798 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 11.186 -13.001 -1.561 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 28.708 5.136 -1.929 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 -5.821 -4.888 0.256 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 -14.707 12.838 2.409 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 -4.779 -16.552 10.581 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 1.714 4.536 -3.631 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 -9.815 -3.197 -11.285 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 1.457 2.917 -5.571 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 -2.429 -3.274 -1.665 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 -0.644 15.543 16.098 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 14.014 -13.160 8.378 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 5.250 10.961 5.259 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 -10.601 10.816 4.808 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 0.214 22.877 4.270 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 2.503 -3.193 2.897 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 5.956 -3.749 5.488 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 7.380 9.219 -1.948 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 -9.544 0.299 0.738 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 1.409 -10.801 -31.228 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 7.012 15.543 3.856 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 -1.784 2.847 2.660 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 6.503 -15.132 -20.582 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 -36.987 -6.430 10.117 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 6.989 5.866 3.048 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 -5.044 -4.060 8.968 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 -7.256 -11.286 -6.565 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 -0.392 -1.332 6.103 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 0.168 22.063 4.767 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 -3.980 -1.661 39.550 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 2.621 -10.177 0.906 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 17.496 -40.279 -6.409 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 -15.530 16.304 9.196 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 -1.403 1.539 0.591 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 6.152 -3.118 -17.107 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 -10.830 10.618 19.672 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 -1.747 2.333 10.233 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 14.831 3.686 14.807 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 -14.158 -15.894 12.317 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 -4.679 -6.100 -6.932 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 -10.835 -5.662 -9.303 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 -9.511 0.096 -0.776 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 3.581 -1.038 -0.918 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 13.996 13.798 9.721 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 -18.242 -3.820 8.178 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 2.756 0.224 -1.120 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 -0.292 -41.940 4.866 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 -4.962 -9.669 -20.416 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 3.552 -0.671 -1.761 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 -6.308 -3.058 -7.756 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 -13.222 -12.388 4.735 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 -6.859 3.064 -0.204 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 -1.818 -4.402 -11.946 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 -0.337 2.509 16.305 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 -0.950 -3.059 6.453 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 -1.725 -6.958 20.424 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 13.306 -6.056 -2.565 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 -7.974 -3.560 2.735 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 3.226 -6.440 5.668 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 -2.746 1.444 -4.137 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 0.379 1.566 -0.250 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 -4.797 13.490 -10.631 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 -7.415 7.691 7.189 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 -0.952 -2.886 -1.321 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 29.411 16.203 -0.037 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 -26.583 10.477 -29.908 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 -2.814 -1.078 -4.176 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 -4.804 -1.065 -8.517 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 8.392 -5.268 -6.740 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 2.534 8.019 3.306 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 -0.694 0.521 -1.380 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 -7.298 -1.835 0.670 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 -2.076 1.169 3.345 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 -16.439 1.998 18.492 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 13.414 -10.895 13.296 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 -5.899 -1.144 -6.455 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 1.924 -29.562 19.181 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 -19.297 15.316 -17.766 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 0.544 1.213 6.394 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 5.154 -3.772 12.218 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 2.815 -0.031 0.527 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 0.352 -0.030 -0.793 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 0.889 14.973 -18.140 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 0.754 -17.356 5.548 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 8.469 -3.914 -5.118 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 14.172 -4.916 -0.273 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 21.046 12.730 8.579 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 -4.329 -4.764 -0.480 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 -2.367 -8.885 1.751 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 -5.472 -2.367 -2.140 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 -3.098 5.060 -6.321 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 -20.023 -4.640 -1.226 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 -7.655 18.691 -16.755 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 0.055 5.944 -6.908 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 0.628 5.258 7.904 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 0.515 4.983 2.138 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 -1.644 -0.636 7.714 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 -12.826 15.750 -16.746 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 15.327 5.433 -14.776 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 -3.590 -0.009 3.083 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 -15.506 6.811 -8.819 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 -4.475 8.167 3.078 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 -3.795 -3.811 -0.519 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 -0.987 -11.824 -10.566 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 3.536 -2.708 -14.366 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 -2.737 2.500 -8.088 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 -11.261 -2.419 -7.974 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 14.054 20.425 -20.351 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 2.640 -1.134 1.688 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 8.061 -18.216 -0.473 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 8.988 -6.105 -2.357 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 7.164 -1.946 1.184 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 -9.626 17.774 11.057 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 -0.534 -14.252 -33.029 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 6.197 -3.333 -5.306 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 -2.284 -26.311 -5.476 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 23.424 -9.718 -5.798 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 -0.626 -2.856 -0.583 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 -6.045 -4.029 23.949 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 -3.960 9.484 -15.098 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 6.948 -0.420 0.313 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 1.986 5.021 9.391 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 2.548 -7.827 3.698 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 1.979 -8.169 -6.220 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 19.444 -9.698 24.408 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 -26.879 3.893 16.254 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 2.923 2.876 -1.166 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 6.990 5.286 3.642 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 2.416 -1.284 15.269 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 0.296 -4.946 -3.432 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 1.595 10.110 -3.036 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 -8.079 -9.964 8.725 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 -3.201 -0.557 -2.369 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 5.749 -1.191 -7.404 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 -2.917 12.745 -4.609 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 -3.483 4.273 1.468 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 -13.131 0.457 -5.722 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 5.856 -3.635 -4.874 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 0.176 -6.157 -3.341 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 -17.984 -29.481 -10.902 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 13.088 -16.407 -15.394 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 -4.158 -4.914 -1.425 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 -7.304 12.073 12.935 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 -7.030 11.540 24.975 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 -4.114 -0.363 -0.730 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 -10.474 12.234 7.397 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 -1.031 0.348 -5.914 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 -1.426 -2.977 -4.880 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 -0.451 -18.973 35.856 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 -0.553 -8.141 4.078 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 -0.043 2.336 -1.639 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 8.160 -4.040 -17.656 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 -3.403 -4.710 0.757 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 -5.070 -5.027 4.940 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 -16.924 19.143 -16.150 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 8.345 -0.644 14.826 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 3.138 -3.928 -5.443 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 1.468 -10.469 -12.077 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 11.133 -0.368 -9.652 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 -9.003 -6.986 4.732 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 5.509 5.223 29.177 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 13.945 -18.450 3.615 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 -4.514 -1.340 -3.874 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 7.660 -25.378 -17.148 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 0.083 -14.534 -14.421 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 -5.605 -5.166 9.302 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 1.163 1.937 6.328 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 -9.254 5.029 2.250 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 -4.499 -4.170 13.904 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 8.298 -6.781 -13.388 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 -10.686 -16.833 -30.691 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 -0.933 -1.609 -6.282 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 -7.629 -6.228 10.796 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 -12.912 29.320 -5.142 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 -1.122 0.797 2.384 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 1.749 0.323 11.933 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 6.271 -0.393 -3.312 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 -8.620 -3.012 -0.891 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 14.011 -2.425 -5.984 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 -11.086 -6.754 1.989 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 0.839 1.605 0.487 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 5.924 1.533 -2.010 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 5.699 -2.382 14.022 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 3.998 7.282 -7.002 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 -7.514 24.463 -14.594 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 -1.591 10.680 4.882 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 1.511 -0.422 -0.659 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 4.362 6.993 8.623 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 0.119 -3.353 -9.145 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 1.536 9.253 0.360 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 12.503 10.597 -0.872 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 4.716 17.896 11.635 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 3.639 -4.981 7.814 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 6.679 -13.079 -10.923 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 -32.213 -9.496 5.008 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 -3.998 -5.208 -3.054 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 26.712 -2.338 -29.299 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 -5.574 1.490 9.807 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 -0.680 5.332 -1.605 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 -2.679 -0.385 11.138 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 -2.486 -4.974 -2.246 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 -1.995 -2.437 -1.281 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 -12.446 1.450 12.158 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 8.352 -14.784 4.874 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 -1.361 0.395 -2.651 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 -15.891 18.273 6.113 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 -1.460 21.303 7.530 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 0.818 -0.960 5.797 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 1.245 -5.420 -3.249 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 -10.909 -11.229 9.032 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 2.156 0.403 0.274 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 -2.328 -3.732 -26.766 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 13.302 17.660 8.163 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 0.882 0.215 9.255 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 5.142 4.515 -4.480 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 -8.829 -2.613 10.531 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 4.709 4.495 4.439 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 -18.939 0.884 10.203 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 19.798 -2.728 -5.210 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 -2.525 2.536 2.003 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 -18.211 -12.212 5.869 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 -19.915 2.793 0.172 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 0.678 4.244 -0.517 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 4.085 2.913 6.044 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 -2.914 9.429 5.463 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 -0.635 -2.529 -11.387 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 3.004 -10.658 -9.377 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 -3.540 0.177 -3.408 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 -1.419 -1.023 -1.640 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 -2.151 -0.214 -11.764 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 -2.544 -3.882 -3.498 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 7.409 2.713 3.612 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 7.411 -14.166 22.582 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 -19.831 7.236 12.165 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 2.521 10.129 -3.858 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 25.822 -4.524 -7.976 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 -25.836 -13.587 14.975 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 3.012 0.841 0.086 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 18.736 -13.730 6.247 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 -4.287 16.565 6.342 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 5.216 -0.745 0.638 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 2.456 9.727 -6.238 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 2.942 1.994 -6.521 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 -4.701 -2.302 3.216 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 -17.877 4.330 -1.080 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 12.166 17.301 4.786 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 -0.458 -4.581 -5.375 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 -20.074 11.518 -19.306 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 -28.043 -4.035 -4.088 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 -2.532 5.528 -0.528 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 4.931 14.733 -10.248 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 -12.879 10.680 10.745 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 -0.530 2.505 2.292 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 9.727 5.354 23.563 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 -6.528 -10.383 -6.814 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 0.436 4.038 -6.336 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 4.211 4.588 21.044 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 10.823 -1.778 -13.887 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 2.191 -1.094 0.802 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 9.256 -12.211 4.167 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 2.872 -6.996 2.230 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 -6.158 5.841 6.946 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 3.086 8.910 -1.512 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 -14.200 4.098 12.327 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 -4.200 7.081 -2.683 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 10.067 -14.738 4.966 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 32.981 2.408 1.981 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 -3.873 7.309 0.147 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 3.278 12.427 -6.819 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 -2.792 5.242 2.194 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 0.872 -2.722 3.611 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 0.715 -3.025 1.503 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 -10.701 -6.454 -28.512 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 -4.777 -1.565 2.601 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 -2.314 2.736 7.035 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 5.197 -8.332 -4.157 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 -3.468 -6.505 -0.972 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 -7.498 13.542 -3.811 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 -4.659 1.806 -8.467 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 1.463 1.618 -4.024 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 20.040 25.526 -24.022 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 15.784 4.769 -20.018 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 5.835 5.736 -0.208 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 -40.475 -20.272 -5.260 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 24.478 -19.716 -4.769 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 -1.252 -0.923 5.873 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 0.674 7.777 -2.891 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 -12.320 -3.255 5.274 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 -1.632 4.486 3.759 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 1.168 6.683 10.009 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 -7.276 -9.432 -11.116 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 0.865 1.661 -2.269 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 -24.315 -2.346 3.060 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 -3.039 6.441 8.301 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 2.942 0.126 -0.737 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 3.479 1.930 -7.175 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 8.496 0.379 3.387 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 3.554 3.590 4.553 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 7.588 10.497 -6.737 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 6.464 13.944 13.895 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 2.624 1.877 -5.766 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 2.444 -5.175 7.357 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 3.037 11.008 -22.510 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 0.179 -6.079 -4.338 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 -13.958 17.795 -14.952 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 0.154 8.433 19.285 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 -0.580 -1.892 -3.479 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 -5.000 1.048 -9.244 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 12.448 -3.509 -4.768 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 0.211 0.885 4.626 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 -4.928 11.252 -24.898 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 26.742 2.817 32.588 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 2.876 2.930 0.286 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 5.243 5.388 -2.301 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 -6.519 7.181 5.771 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 1.468 2.489 6.322 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 6.112 -15.249 -8.554 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 7.037 -22.443 -14.504 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 -0.435 -5.771 -1.305 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 6.423 -29.971 9.075 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 1.256 29.735 -23.207 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 -0.069 0.812 7.227 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 -24.835 17.965 -0.525 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 14.752 -3.220 -20.939 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 6.549 -3.157 -4.081 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 -2.391 -18.893 21.195 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 -3.721 -21.040 24.305 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 -0.937 -0.432 2.933 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 -14.109 -11.323 22.470 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 -10.371 -10.260 11.820 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 5.563 4.879 -1.827 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 6.259 3.057 4.638 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 -5.964 -11.100 8.658 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 -2.527 -3.324 -0.974 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 11.514 2.249 3.042 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 17.765 2.837 4.809 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 -0.515 1.752 -1.880 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 15.925 -15.895 -12.819 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 7.519 -4.684 -5.090 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 -5.934 -1.807 5.767 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 -9.089 -2.877 6.834 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 -7.535 -0.383 2.963 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 -8.527 -5.002 -5.110 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 -8.648 -29.869 -3.386 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 -13.390 6.166 2.185 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 -2.611 -7.711 -1.232 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 0.208 -13.549 13.975 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 2.191 -9.601 9.935 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 7.650 -0.634 -2.652 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 -9.210 -1.671 -2.445 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 -22.119 -30.886 -6.029 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 -4.117 2.402 -11.214 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 -4.485 17.109 -19.288 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 -15.743 -8.686 5.514 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 -0.419 -1.224 -1.979 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 -3.730 1.134 -7.976 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 8.212 -10.068 6.618 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 11.336 -1.515 6.230 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 8.334 -7.780 8.021 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 5.023 1.143 12.176 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 -4.310 0.486 8.020 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 -15.304 23.193 5.008 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 -0.550 6.942 4.373 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 3.930 -0.976 2.071 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 1.117 -15.571 16.443 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 7.267 -1.161 -3.991 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 5.664 1.028 0.622 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 8.610 -12.588 15.803 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 0.999 -1.871 -17.163 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 -3.331 -1.048 -4.291 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 -5.530 0.187 -7.953 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 -2.578 -3.094 -8.153 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 -1.457 2.874 -1.739 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 -4.731 4.129 -2.427 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 13.988 -1.429 5.591 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 -0.413 -1.535 -2.421 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 16.010 -20.474 -4.504 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 -9.036 -4.699 -8.389 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 9.683 0.792 -0.418 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 8.267 -3.153 -2.212 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 22.645 -1.623 -8.240 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 -2.877 7.840 -1.214 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 -3.707 5.956 0.276 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 20.666 -11.858 -2.397 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 4.426 2.108 1.932 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 -8.920 -2.317 -7.554 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 -3.055 17.136 -21.546 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 -2.113 0.859 -1.989 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 -19.514 2.702 -9.093 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 -18.313 -9.719 -3.158 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 1.935 -6.872 -0.826 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 -9.929 -12.177 -7.040 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 -0.120 -14.767 -8.525 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 -4.926 5.589 6.259 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 11.949 15.444 10.165 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 -4.129 7.400 8.547 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 -2.422 0.166 2.239 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 -3.632 10.271 -10.868 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 10.956 -1.078 -2.763 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 3.828 2.775 -0.010 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 11.603 6.424 -14.262 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 3.921 0.336 0.567 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 1.008 0.147 8.820 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 2.901 16.882 10.219 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 -14.043 12.612 -7.216 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 -1.372 -4.989 -3.577 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 -2.492 -12.182 -1.512 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 18.850 -16.424 -5.370 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 -4.881 -0.558 -3.168 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 7.903 9.529 -3.067 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 -10.929 -10.478 -14.245 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 3.050 -6.945 4.126 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 3.615 5.483 0.253 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 -5.718 -6.512 14.348 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 -3.352 -4.407 1.642 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 -1.448 10.897 4.369 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 1.572 22.441 2.096 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 -1.475 2.566 -1.079 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 -8.438 25.285 -12.444 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 -18.721 0.781 17.448 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 -11.066 -3.731 -4.039 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 11.008 -15.127 -4.444 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 -5.359 22.985 17.265 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 -3.005 -0.381 3.711 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 0.037 6.627 -7.676 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 -9.522 -13.342 24.304 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 -4.511 7.876 -2.975 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 -22.928 -11.585 8.333 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 -12.766 -5.886 14.869 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 1.516 8.094 2.028 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 -4.136 2.160 9.166 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 -6.809 9.733 -7.600 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 2.819 -7.651 0.332 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 9.999 5.249 -5.358 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 -7.073 -25.173 0.873 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 -1.177 -6.445 5.348 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 -9.563 4.261 7.801 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 1.361 -11.694 17.864 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 8.839 1.776 3.882 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 -4.031 -9.473 -17.601 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 3.385 1.401 -8.971 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 -5.923 3.246 0.840 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 -16.926 16.487 -7.518 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 3.670 4.363 -3.000 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 -3.620 2.594 2.094 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 -8.698 -13.079 -4.387 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 -5.356 -11.464 -1.452 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 -4.855 -2.943 6.060 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 2.252 -0.231 3.744 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 -5.097 -4.233 0.660 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 3.286 -3.218 -2.625 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 3.022 4.513 -9.731 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 9.772 -14.470 -2.642 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 0.602 6.336 -2.440 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 16.961 -0.624 24.217 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 10.360 -6.339 -0.234 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 0.079 2.760 7.100 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 -13.727 -2.517 -5.437 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 0.747 -4.032 0.102 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 -1.609 4.585 -0.253 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 8.959 4.234 -11.568 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 27.436 19.432 -3.322 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 2.271 1.882 -0.410 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 2.537 -3.182 -4.597 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 7.008 17.964 13.778 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 1.199 -3.492 2.883 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 3.957 8.825 2.095 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 12.940 -10.135 20.340 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 7.292 -2.058 2.686 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 3.337 -32.266 -9.523 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 11.409 5.247 4.444 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 -0.206 -0.875 2.226 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 15.465 -23.942 4.030 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 4.649 -6.300 6.865 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 5.643 -0.939 2.499 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 8.318 2.833 -4.106 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 15.744 4.053 -8.197 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 -0.905 5.170 -0.606 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 -3.910 -19.193 10.797 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 9.661 22.165 0.357 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 1.043 -0.856 6.729 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 6.276 2.500 10.251 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 17.189 14.707 13.833 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 1.660 0.441 -6.154 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 -14.080 7.403 -19.619 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 5.101 -2.998 4.271 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 5.270 3.227 -9.864 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 -14.244 -14.750 -16.127 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 -0.345 -4.288 3.276 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 1.977 12.351 -1.359 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 11.281 7.158 -1.197 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 5.649 8.636 6.335 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 -1.174 -0.300 1.817 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 8.270 2.074 -18.053 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 12.461 1.745 8.134 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 -7.666 1.130 0.058 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 -3.681 9.570 -1.132 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 -10.719 -1.953 14.772 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 4.654 -2.758 -1.347 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 6.582 -22.129 -20.583 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 26.564 -2.707 1.370 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 3.631 5.074 1.629 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 -17.125 -0.719 -6.654 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 -2.565 5.279 18.059 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 1.201 4.979 1.626 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 0.035 2.700 1.529 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 21.128 26.141 -7.028 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 0.669 0.589 -5.764 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 0.366 5.370 16.558 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 1.299 2.376 -4.052 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 -2.601 1.750 0.344 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 -15.370 9.777 -3.283 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 -21.089 -22.309 10.234 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 4.269 -2.734 3.203 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 18.737 -7.601 9.060 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 -11.211 2.125 0.763 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 -0.474 -0.553 -5.292 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 -2.547 -19.109 -1.385 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 -0.442 -26.025 -2.124 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 -4.581 0.344 -3.394 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 1.092 -7.100 -1.070 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 -7.896 4.468 -4.422 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 -4.659 5.701 -2.183 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 26.312 -19.192 -15.524 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 -5.497 0.346 22.406 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 -8.634 -6.100 -0.123 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 -27.262 8.398 3.084 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 4.049 -11.667 2.236 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 0.842 -5.033 3.179 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 -2.414 -6.311 -1.914 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 3.436 -11.235 -0.752 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 7.001 -6.233 0.496 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 -4.975 -10.541 13.617 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 8.606 2.650 -12.828 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 -6.961 0.423 -2.000 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 -0.555 5.910 1.810 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 -7.000 -0.374 -4.924 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 4.403 2.647 8.146 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 4.210 1.819 6.143 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 3.895 2.786 7.500 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 -1.154 -5.821 -0.610 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 7.087 -4.358 9.163 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 2.064 -21.412 -1.248 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 -2.323 -1.889 3.071 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 -5.792 2.629 18.699 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 -8.878 -13.353 -7.951 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 0.797 1.501 2.895 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 27.297 24.882 -1.904 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 6.954 -22.010 -6.459 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 -2.388 0.581 1.656 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 -16.116 -31.707 -9.365 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 -5.174 14.295 -24.835 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 0.611 4.255 -3.861 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 -9.065 -17.385 11.464 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 -15.707 10.055 -2.272 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 2.484 -5.552 0.565 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 4.125 0.195 14.413 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 4.452 17.572 -12.447 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 -0.770 2.443 5.826 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 -17.677 15.374 -6.277 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 4.120 -20.840 10.106 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 1.221 -1.677 4.129 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 3.316 5.716 9.117 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 25.504 -11.372 9.805 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 3.251 -1.311 1.110 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 -0.383 -9.535 1.011 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 7.378 5.834 5.107 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 1.749 -2.050 -1.583 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 18.466 -20.968 16.710 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 26.978 16.693 -17.773 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 7.775 -3.332 -3.298 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 9.228 -2.237 -2.905 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 -12.079 -6.277 -4.104 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 0.028 1.274 -0.801 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 -0.591 -12.857 -22.056 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 -21.961 -3.052 1.989 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 -7.046 -1.875 6.257 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 -8.106 -6.917 6.095 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 12.079 -2.355 -11.758 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 -3.473 1.598 4.639 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 -23.556 3.725 2.140 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 -3.272 2.021 0.212 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 2.325 4.253 -0.815 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 8.741 8.907 -13.209 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 16.450 1.118 -0.194 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 5.234 2.269 -1.905 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 33.270 0.258 0.726 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 4.774 -25.210 1.164 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 -7.304 -1.738 0.847 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 10.013 -17.467 -4.844 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 -12.787 11.957 5.454 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 9.890 -2.213 -1.323 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 -25.881 9.537 8.002 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 -10.177 3.773 9.769 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 -0.180 -3.049 -6.709 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 -36.744 16.789 -15.053 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 -5.224 -35.112 8.939 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 -1.366 -1.549 -7.843 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 8.605 -3.014 6.723 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 -13.455 9.572 -3.675 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 -1.334 4.892 2.865 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 10.502 -14.229 34.645 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 28.701 3.568 -1.304 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 1.066 0.832 -3.814 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 -9.714 -8.905 2.442 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 11.749 6.053 8.763 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 2.066 -5.339 3.140 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 16.752 15.119 11.516 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 -8.725 -7.248 4.171 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 4.732 -1.379 2.229 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 6.872 -14.650 -5.751 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 -23.803 13.070 -4.206 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 -8.710 3.686 1.047 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 -14.980 8.427 -9.269 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 -6.351 -2.879 -2.461 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 1.352 2.602 -2.454 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 -0.817 6.587 9.696 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 1.659 1.949 -16.447 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 -0.089 3.667 -8.504 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 5.354 16.045 0.517 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 -20.257 1.492 -22.030 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 3.951 -2.221 4.722 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 -6.621 -3.755 -14.958 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 -6.538 2.353 3.027 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 -2.687 -1.705 6.243 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 -2.653 0.626 1.182 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 -0.999 5.084 -7.905 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 -4.654 -0.253 3.286 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 7.790 -2.650 14.869 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 -7.370 5.977 21.579 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 -1.971 -0.365 -0.484 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 -6.847 -0.171 10.730 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 -1.804 0.777 0.494 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 -3.417 1.278 1.590 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 15.917 11.317 -8.833 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 9.679 10.955 -10.477 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 0.653 -2.314 2.136 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 8.848 -29.463 18.378 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 -6.807 -10.867 2.212 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 -2.761 -6.010 2.358 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 -23.330 -5.030 14.036 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 -17.054 -3.341 -3.148 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 -2.050 0.702 -0.716 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 -3.891 7.880 2.772 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 4.846 2.323 -2.480 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 -5.111 -3.815 2.604 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 4.075 -0.820 -0.112 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 -4.833 -9.323 0.994 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 -3.701 -0.789 -3.671 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 1.124 -1.276 6.835 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 -4.802 -5.014 -9.169 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 -4.804 -3.329 -5.100 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 14.564 19.661 3.458 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 23.764 6.362 -0.520 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 -8.195 -1.315 -1.059 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 -9.914 -10.483 -6.196 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 19.523 -15.257 2.067 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 -0.774 6.905 4.560 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 9.024 -27.495 6.951 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 0.037 9.711 3.009 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 5.514 -1.485 0.896 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 -19.566 -16.220 12.990 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 -2.576 7.026 6.132 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 -3.867 3.149 -5.135 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 -9.180 2.559 -8.228 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 -23.284 0.583 -15.614 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 3.903 -4.878 -1.031 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 -11.718 4.519 12.349 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 3.857 -2.070 -1.355 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 -3.152 -1.455 -3.447 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 -6.578 23.586 -8.674 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 -10.474 12.632 13.977 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 4.221 -3.937 1.044 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 -0.539 -1.140 14.820 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 3.443 -1.721 9.505 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 -4.569 1.150 5.355 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 -12.307 -14.330 -6.203 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 5.294 15.861 -7.649 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 -3.687 -0.182 1.327 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 -3.856 0.354 -0.822 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 -1.661 7.414 -9.310 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 -8.599 0.912 4.843 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 -3.780 4.517 22.831 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 -8.439 -2.065 14.722 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 0.083 -7.769 9.832 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 6.746 9.670 2.741 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 0.934 -13.560 15.521 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 -4.777 -1.153 6.116 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 -16.533 -19.855 -13.177 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 5.320 7.999 15.011 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 -5.224 -9.537 0.750 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 -1.870 4.213 7.248 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 -8.089 -11.176 -6.412 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 -4.655 -7.612 -2.493 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 -4.220 -19.177 2.467 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 -1.949 -3.689 -7.697 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 -6.059 -3.083 3.236 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 5.132 -13.523 3.810 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 -1.214 -16.997 7.747 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 0.206 1.710 0.856 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 -4.780 12.869 10.885 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 5.529 -8.893 -9.482 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 0.253 -3.755 5.624 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 4.325 4.914 -18.638 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 3.338 -2.538 4.686 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 -8.709 -1.225 -3.044 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 -9.705 -28.512 -16.037 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 -5.385 -8.348 -30.907 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 4.546 -4.339 -0.545 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 -7.005 -2.962 -30.185 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 26.180 -9.462 0.589 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 4.022 -0.455 7.521 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 16.623 -10.910 -9.911 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 -16.092 -3.575 4.138 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 7.977 -3.648 -7.664 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 6.402 -21.903 -12.390 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 11.843 14.120 -4.930 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 1.082 7.921 0.497 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 -2.507 20.190 6.405 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 3.726 8.863 -3.423 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 -2.160 0.981 -4.941 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 -13.691 -1.625 -36.435 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 -15.846 -25.580 12.238 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 -4.541 -3.747 4.355 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 -16.327 17.545 6.437 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 -2.768 12.559 2.013 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 -0.285 7.234 -0.186 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 6.608 0.931 -12.212 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 -21.796 -1.029 9.872 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 -1.791 3.556 -4.241 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 24.305 2.472 -9.900 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 11.927 -9.921 1.258 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 -0.594 8.452 1.195 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 6.877 -18.482 11.356 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 7.260 -5.744 -2.806 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 -0.421 -7.571 1.832 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 16.334 -5.293 0.531 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 7.080 6.037 -12.151 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 -2.078 3.723 -5.588 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 6.509 19.744 39.152 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 3.720 7.809 9.731 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 -1.005 -0.516 -2.329 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 -4.412 2.073 -7.722 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 -5.045 2.998 13.512 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 -5.798 0.770 -8.188 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 0.288 -13.010 -7.717 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 6.792 -9.872 -16.163 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 0.947 3.807 2.796 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 20.466 9.073 -31.652 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 5.218 44.892 -2.420 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 -4.886 2.573 -4.078 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 -4.134 -0.227 -8.550 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 -9.083 4.836 -4.774 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 -2.817 3.602 3.400 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 13.801 -4.723 2.734 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 -47.496 19.420 3.529 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 -1.739 0.098 11.466 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 3.720 0.792 1.652 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 3.044 -5.052 -7.269 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 0.719 -3.868 5.158 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 22.321 -11.762 -2.056 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 -20.863 5.477 19.921 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 0.178 3.333 -7.322 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 1.479 -2.331 -3.995 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 15.710 31.696 -32.705 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 4.471 2.232 6.395 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 -0.072 -1.232 -2.501 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 7.868 9.963 13.091 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 1.526 -1.240 1.116 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 4.755 -6.716 24.785 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 4.742 -4.939 20.475 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 3.695 5.790 -2.558 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 6.353 24.404 0.481 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 -12.437 7.831 -14.001 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 -3.255 10.229 0.374 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 2.618 -10.573 -8.055 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 -6.811 17.082 14.462 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 -5.093 5.543 3.281 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 -18.034 10.780 7.304 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 7.576 16.942 18.797 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 0.414 1.827 -5.086 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 12.971 -10.019 -5.312 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 -9.862 -3.168 8.987 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 1.240 5.480 -1.625 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 6.453 13.011 -5.954 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 14.906 18.762 -9.765 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 2.091 0.553 -10.021 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 -11.538 9.717 -17.258 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 7.398 6.066 -11.261 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 0.911 1.924 0.538 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 0.110 8.453 11.397 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 -7.962 7.250 -0.565 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 4.422 -5.886 3.383 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 -4.543 -6.926 -5.781 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 2.750 -5.596 1.771 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 -7.457 1.678 -4.521 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 -8.643 -1.089 -9.088 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 -11.547 -4.226 4.336 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 -5.160 -2.176 1.332 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 19.938 -6.552 26.981 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 12.995 -5.188 7.232 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 -4.590 -1.589 0.527 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 0.724 -2.806 -0.364 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 -1.657 -8.061 3.905 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 3.959 -0.111 4.912 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 1.713 2.749 12.969 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 13.275 -8.450 -18.805 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 5.947 -1.359 0.520 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 11.788 3.078 -8.079 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 2.002 -11.086 -4.015 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 -6.111 5.630 1.445 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 -6.722 -0.539 3.787 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 -1.940 -4.947 2.614 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 -2.565 4.013 -1.350 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 4.684 35.372 -16.020 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 8.056 -34.414 -6.482 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 -0.715 3.289 5.326 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 3.074 7.966 5.658 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 3.462 15.789 8.866 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 4.274 -3.256 -1.237 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 38.537 3.909 10.896 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 13.556 12.516 8.711 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 2.532 8.290 -4.949 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 -4.156 -3.831 -14.706 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 3.204 4.139 -7.193 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 1.135 -3.917 2.860 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 -14.421 -7.050 13.345 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 12.222 -7.963 -17.763 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 -2.900 1.641 6.775 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 9.216 6.637 1.970 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 21.596 11.195 3.629 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 2.688 -6.511 -2.896 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 -1.478 -3.339 -7.442 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 6.997 -2.977 8.991 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 1.484 4.014 -3.387 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 0.153 16.720 -7.732 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 -25.408 -18.522 6.982 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 1.408 -2.540 -2.884 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 -16.007 -14.920 19.708 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 7.574 2.713 -17.604 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 -7.617 -6.517 -4.289 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 32.934 -14.511 -2.465 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 -4.616 -11.284 -24.601 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 -1.113 5.665 -1.514 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 -0.143 -4.195 10.093 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 2.207 -9.869 0.249 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 -1.597 4.282 8.314 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 4.708 -27.125 22.321 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 -17.454 1.739 -14.792 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 -0.774 7.129 6.380 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 16.356 8.348 -20.145 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 3.450 8.958 -0.910 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 3.695 -2.030 -4.312 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 0.467 0.688 -2.364 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 -7.586 -5.647 6.087 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 -0.192 -6.599 3.733 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 -18.128 -11.227 8.138 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 -3.616 -5.478 8.623 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 -1.321 -1.042 0.820 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 -13.993 -1.111 -11.724 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 -18.303 6.585 3.129 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 0.509 0.681 -3.869 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 -14.815 14.909 -12.604 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 11.185 13.424 10.262 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 -2.459 -3.751 -7.961 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 2.047 5.179 -7.058 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 -12.471 -10.960 -11.224 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 -2.639 2.832 -4.588 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 8.962 -6.541 39.506 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 2.276 -2.850 3.178 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 5.363 -2.926 -0.613 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 12.273 8.396 -7.264 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 -9.879 -1.509 -5.050 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 0.139 -1.764 6.909 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 11.503 13.654 5.298 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 -3.020 -31.338 -11.973 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 -1.404 7.233 0.654 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 -18.116 -23.650 -0.890 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 6.845 23.328 -20.951 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 3.867 6.205 -8.182 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 4.472 6.391 -2.634 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 7.523 3.420 -16.312 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 1.964 6.726 4.456 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 1.861 9.094 -3.511 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 0.111 -1.294 3.713 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 2.519 4.782 -0.120 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 -3.966 20.177 12.959 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 29.122 8.475 2.127 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 -7.856 4.823 0.229 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 -9.068 -3.964 10.429 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 -6.368 -0.502 -5.226 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 2.686 1.666 -8.795 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 1.776 -6.273 -10.084 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 2.945 2.689 -0.905 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 1.983 -1.570 0.068 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 21.871 -0.926 6.429 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 -22.528 -3.375 -8.407 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 -1.134 -0.111 3.597 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 7.787 28.316 5.477 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 -3.286 11.032 2.390 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 -5.107 0.998 -1.268 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 -0.447 6.858 17.608 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 -9.399 -1.107 -13.758 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 -2.686 1.396 -3.908 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 23.584 -24.674 -14.065 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 -12.572 2.966 -2.979 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 0.900 11.121 -5.730 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 7.819 13.456 6.600 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 -8.954 0.134 -2.515 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 -1.416 -5.701 -5.519 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 -4.302 -15.116 -9.713 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 -7.536 -10.735 -0.247 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 0.781 1.094 -0.649 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 3.059 -7.830 -2.401 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 7.335 7.882 -0.198 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 1.577 -3.238 -2.114 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 5.490 -13.926 -19.316 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 -5.006 15.451 -1.858 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 1.496 0.156 -0.882 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 0.232 -2.781 -4.720 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 5.063 2.851 -1.033 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 -4.373 4.431 2.006 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 2.181 -9.193 -28.775 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 14.967 7.410 -1.566 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 -0.247 -7.167 -1.733 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 3.731 11.428 -13.441 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 6.244 6.205 -4.401 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 1.578 -3.057 -4.336 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 5.562 -10.486 4.793 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 3.523 -1.801 -1.531 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 -1.500 1.692 3.311 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 -16.803 -1.949 -0.809 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 7.268 -13.755 11.853 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 8.619 -5.771 -2.946 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 7.609 -7.971 -3.781 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 -8.777 1.869 -0.234 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 9.270 -1.657 -6.467 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 19.728 -4.401 -6.367 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 -8.448 -9.586 19.035 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 -8.919 2.644 5.215 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 29.993 -13.556 17.593 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 -12.806 5.482 -8.952 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 1.919 -3.282 3.830 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 -6.572 11.506 -0.810 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 -19.329 0.758 -19.313 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 0.643 6.738 4.587 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 3.125 15.725 0.836 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 -2.499 -11.428 10.280 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 -6.443 -3.238 -4.209 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 -4.525 1.289 -15.060 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 -9.873 -9.766 -14.615 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 -5.850 2.277 -3.134 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 4.357 -17.330 -6.828 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 19.880 30.959 -10.492 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 0.939 -2.963 1.307 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 -10.600 -20.873 13.884 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 7.475 -9.693 12.241 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 -0.539 -3.021 -1.192 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 29.428 37.920 -7.597 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 -20.867 3.674 -9.141 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 -6.217 3.295 -0.379 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 11.920 1.145 -7.198 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 5.422 2.090 -4.826 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 1.136 -2.733 -0.993 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 4.058 8.883 -10.854 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 1.024 22.709 20.339 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 0.928 -6.072 1.750 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 -18.552 13.983 5.905 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 15.362 -5.770 24.163 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 -6.963 -2.942 -8.123 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 -13.883 1.796 5.540 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 -17.276 18.825 5.735 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 4.621 3.490 4.835 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 11.672 15.636 2.452 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 14.449 -17.173 3.324 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 2.571 -7.460 0.532 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 12.174 5.786 2.554 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 -8.330 13.540 17.853 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 6.872 2.577 -2.586 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 9.240 -3.358 5.499 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 6.355 -35.431 -1.169 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 0.254 0.303 -3.595 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 14.935 -7.529 -13.397 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 -3.054 0.326 18.154 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 -1.631 -6.609 -0.330 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 -1.230 4.788 -19.760 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 -0.336 -12.846 -8.458 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 0.884 -2.330 0.081 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 -14.946 10.234 -2.684 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 -6.831 3.498 2.038 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 -7.597 2.132 0.447 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 -13.735 3.551 9.139 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 9.142 -3.293 -15.542 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 -3.445 1.093 4.230 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 22.177 13.920 8.556 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 1.217 19.387 10.090 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 5.975 3.900 1.355 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 6.447 8.978 -7.745 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 -10.789 7.953 -4.911 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 13.429 1.207 7.270 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 27.207 8.300 4.879 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 7.279 4.346 3.284 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 -2.456 -1.364 2.575 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 -3.978 11.440 9.851 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 37.258 -36.565 -2.674 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 -2.105 -5.670 -4.810 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 0.603 0.481 -0.427 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 -10.742 -25.826 -18.331 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 -7.767 -1.217 -2.743 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 16.262 -5.668 3.459 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 13.425 17.128 0.584 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 13.247 -1.351 3.746 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 23.790 -23.743 7.759 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 6.790 7.547 3.814 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 -1.585 1.165 3.725 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 10.307 -18.028 38.974 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 -9.207 13.230 -5.691 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 1.370 -0.214 1.195 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 4.387 -11.635 16.787 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 18.555 -4.634 -4.250 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 -2.245 -2.318 -5.164 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 28.121 34.501 -14.645 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 16.062 -36.556 0.789 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 -0.311 2.261 -2.982 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 -15.840 -9.157 -6.510 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 13.255 -10.924 -1.327 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 -8.756 0.553 -2.943 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 -6.266 1.923 -4.202 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 -6.684 -2.824 3.751 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 0.560 -2.870 -2.504 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 15.351 -6.872 4.064 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 16.650 13.313 22.574 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 -1.019 -2.276 -6.593 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 20.450 -5.350 6.216 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 -2.520 -4.614 8.546 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 9.030 0.577 -3.280 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 26.597 -1.874 14.331 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 -13.366 -35.873 -3.824 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 -3.364 -0.099 -1.155 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 -17.449 1.417 3.776 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 -1.022 -0.990 -18.538 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 1.617 10.084 -7.184 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 -8.965 34.406 -4.236 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 0.090 5.327 -3.096 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 -3.527 0.296 4.340 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 -0.678 -0.093 -1.909 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 -4.799 -3.912 7.115 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 4.520 -1.278 1.044 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 19.626 -1.033 14.083 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 1.577 12.866 1.016 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 1.804 6.336 -7.347 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 6.149 -0.678 -12.207 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 4.575 4.710 -0.750 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 8.834 -1.754 0.763 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 2.948 24.938 0.720 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 -5.139 20.311 0.793 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 -7.441 1.779 1.313 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 9.250 7.417 0.665 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 4.002 4.820 -2.859 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 -0.147 3.620 -2.101 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 -7.930 3.098 20.199 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 -16.825 20.488 -11.460 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 0.630 1.399 -4.138 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 -8.106 12.222 3.684 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 4.089 8.698 -16.128 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 -0.957 1.356 1.174 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 4.597 1.359 7.386 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 3.902 -1.983 10.090 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 4.659 3.465 8.685 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 8.556 -12.736 14.217 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 -8.656 0.892 21.808 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 2.242 4.578 3.375 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 -9.221 15.112 4.805 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 15.687 21.753 -6.731 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 0.285 -2.361 -5.264 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 15.178 17.024 14.822 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 -17.101 -24.560 18.096 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 -0.706 -1.251 8.790 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 2.344 19.796 0.374 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 9.003 21.732 0.082 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 -0.661 -5.129 3.607 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 0.113 -1.092 8.988 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 -10.236 -12.323 -16.603 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 2.925 4.469 1.626 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 -0.481 2.382 0.342 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 11.324 9.035 4.542 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 -2.110 -3.542 4.608 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 -3.515 -5.668 7.653 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 12.883 -4.614 20.782 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 4.180 -0.356 1.939 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 7.046 24.128 -16.303 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 2.357 -5.838 -9.310 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 5.660 0.209 7.343 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 15.660 -4.463 4.789 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 3.970 -4.640 5.607 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 11.745 3.604 1.502 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 7.561 -5.130 -7.700 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 9.334 19.537 -25.840 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 -1.405 -1.625 4.487 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 6.597 -12.543 -17.473 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 0.621 3.986 -0.887 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 5.199 -5.264 4.532 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 -2.437 -22.687 -9.114 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 17.531 0.959 3.120 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 -3.582 -9.225 0.828 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 5.801 -14.132 -11.161 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 -6.825 18.960 -10.386 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 -0.271 0.394 2.529 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 -4.322 -1.734 4.011 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 -6.229 -14.578 -18.281 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 -0.555 5.251 1.831 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 -15.303 -8.780 -12.974 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 12.911 -10.775 17.400 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 1.947 0.289 -3.318 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 5.606 -38.925 14.809 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 7.305 -12.280 -0.612 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 0.932 3.886 6.898 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 -4.995 -12.062 -2.924 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 -5.535 -6.010 -2.208 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 -4.005 -5.693 4.164 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 10.173 -2.846 4.858 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 33.333 -5.609 -11.498 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 -4.078 -0.397 -8.582 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 9.027 14.339 -5.051 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 7.216 7.030 -7.066 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 1.143 3.131 3.000 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 -10.683 -21.539 5.031 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 -0.002 10.337 -22.931 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 -0.900 1.873 0.243 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 -11.007 23.792 -0.470 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 18.262 17.689 9.085 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 -3.722 -6.665 0.452 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 -7.935 -7.716 3.747 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 -6.037 -6.042 3.499 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 5.763 -1.226 1.751 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 -1.459 -0.707 16.155 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 1.060 -14.762 -11.701 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 -0.725 7.368 -3.180 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 -16.180 -0.505 -8.891 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 -3.550 7.058 6.561 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 3.101 4.830 0.859 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 -4.121 3.702 -1.771 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 12.142 7.307 5.033 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 -1.288 -0.980 -9.098 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 -2.873 -2.095 -8.631 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 -9.485 -7.371 -4.269 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 2.008 -2.144 3.323 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 10.747 1.526 -0.077 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 15.237 1.228 -33.140 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 1.195 -6.928 -5.214 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 -43.978 1.060 -19.869 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 -4.205 -6.380 -7.776 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 -0.811 -1.577 3.639 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 -12.897 -9.056 -37.563 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 29.691 11.846 14.992 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 0.574 1.776 4.411 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 -1.596 21.698 12.665 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 9.275 -2.548 -18.812 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 -7.250 3.951 2.831 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 -6.209 -28.706 3.494 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 -4.786 16.419 1.765 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 4.357 -3.364 -10.621 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 0.483 -8.417 -11.436 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 -11.926 -15.546 -12.969 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 -3.796 -4.690 -4.270 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 11.990 2.849 13.375 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 1.443 0.962 4.561 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 0.426 4.775 -4.192 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 -31.126 -9.577 -16.971 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 4.029 -42.963 9.673 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 -0.274 2.014 0.044 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 9.473 -14.629 5.142 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 1.931 13.077 -15.047 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 2.464 0.883 -3.085 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 16.022 12.978 6.255 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 -15.208 -11.645 -8.305 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 -2.734 -4.107 2.467 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 -9.104 -12.958 1.286 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 1.059 -4.428 5.283 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 4.653 4.228 -3.046 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 2.488 3.673 -9.589 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 10.509 15.454 -5.174 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 -3.730 1.811 5.508 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 12.284 -9.859 -21.489 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 15.224 -8.586 31.362 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 2.296 1.441 -1.609 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 -15.357 0.751 6.818 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 27.887 0.963 -6.338 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 3.485 -4.978 8.770 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 3.002 -7.687 17.506 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 6.868 2.260 -19.506 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 2.505 -2.820 -3.659 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 4.725 17.489 7.045 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 -8.686 2.811 -22.851 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 -1.023 3.625 0.172 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 16.131 9.453 5.665 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 -1.609 -12.267 -12.206 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 2.423 10.567 0.055 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 -15.189 13.164 -7.147 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 -28.397 -0.863 2.374 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 -2.506 -1.249 -1.655 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 20.117 6.132 5.178 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 -7.504 -21.706 -26.864 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 4.462 2.237 6.994 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 -8.346 -11.670 9.018 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 3.588 11.484 8.186 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 -2.259 0.466 0.796 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 -2.440 -17.793 -2.591 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 -15.357 5.511 -25.060 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 -3.185 0.606 4.847 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 20.957 -4.942 -12.078 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 23.746 -3.398 -11.332 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 -0.570 -5.410 1.062 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 -11.771 6.047 -13.447 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 -20.977 2.074 20.016 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 -0.228 3.610 -1.133 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 8.205 -13.435 -1.107 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 6.954 2.904 -2.910 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 -0.723 -0.599 6.090 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 -11.942 6.675 4.553 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 7.860 -0.090 4.639 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 4.230 5.814 3.538 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 -21.483 -3.650 -1.716 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 7.896 3.336 24.022 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 -0.778 -1.561 1.071 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 -0.033 -2.162 3.481 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 -9.749 -11.565 -2.590 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 2.271 -9.423 5.291 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 2.859 -1.750 -15.595 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 16.470 -3.028 2.571 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 -0.718 -6.789 2.972 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 -1.533 -11.356 -5.334 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 -2.722 -6.014 15.440 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 -3.757 -2.123 4.045 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 -6.691 -1.369 -2.550 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 -8.167 -0.870 -6.065 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 -3.447 -2.090 -2.811 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 -5.910 -4.849 -12.559 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 4.693 -2.013 7.226 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 2.753 -1.254 -3.236 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 8.853 -6.360 3.233 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 1.195 -6.551 -10.506 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 1.871 0.318 1.642 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 6.166 8.561 12.825 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 -1.615 11.172 -3.957 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 3.073 -3.545 -2.941 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 8.825 -19.323 11.813 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 6.293 4.613 -2.231 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 -4.796 -0.129 -2.455 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 30.587 25.695 -8.772 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 6.123 -4.164 21.195 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 -3.584 2.619 -1.243 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 -4.267 2.170 2.852 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 1.166 0.018 -10.629 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 5.089 -3.842 5.312 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 13.523 -18.150 -7.295 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 10.144 -26.179 19.088 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 -2.315 3.128 0.338 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 0.964 6.650 0.850 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 0.870 5.323 1.635 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 0.291 -6.865 6.128 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 1.248 -10.750 6.899 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 6.952 -3.386 8.782 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 2.419 2.700 1.406 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 9.521 -13.332 2.617 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 13.177 -14.412 4.017 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 2.069 3.890 -2.456 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 -16.103 2.148 0.673 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 -4.860 18.134 0.971 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 2.178 1.771 -2.274 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 -24.274 9.054 15.206 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 -7.570 -2.823 7.326 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 3.180 5.434 2.548 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 -6.306 6.964 -2.461 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 0.415 -4.259 14.308 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 5.374 1.751 3.471 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 11.267 9.277 18.445 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 -9.854 -5.145 8.332 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 -1.008 2.641 -10.634 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 -1.427 -8.306 6.142 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 3.145 -18.344 -2.407 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 -5.500 3.051 1.593 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 -0.349 11.755 -9.383 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 1.749 27.968 3.017 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 -2.698 -3.755 1.609 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 2.172 23.551 3.757 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 5.918 -37.764 -5.567 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 3.540 -0.742 -5.893 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 -24.084 15.161 -3.748 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 10.275 14.200 10.318 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 -1.870 1.721 0.580 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 0.658 0.683 2.594 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 10.066 -11.193 -10.921 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 -0.089 3.902 -5.420 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 -11.897 0.526 -2.830 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 0.639 0.215 -12.181 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 -3.047 1.143 3.174 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 31.019 -20.478 13.908 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 8.912 8.076 -29.199 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 5.141 -0.707 -2.535 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 21.551 -10.645 -28.650 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 -6.257 -3.243 0.642 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 4.185 -0.756 -10.979 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 -9.544 -24.478 -0.683 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 16.084 -6.517 15.686 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 -4.322 11.204 -3.332 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 8.429 -6.158 -5.816 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 10.979 -2.513 -1.166 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 -3.825 0.823 -2.929 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 2.214 5.272 5.449 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 5.488 -6.003 19.930 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 -1.480 -4.231 -5.182 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 -8.221 5.255 -1.091 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 -22.384 -13.573 -18.112 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 3.259 2.937 -0.511 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 3.095 -5.860 1.900 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 6.974 3.893 -5.218 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 -0.721 -5.789 5.621 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 -13.866 6.198 13.446 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 -7.760 -16.201 1.279 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 -4.713 -5.050 -3.639 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 14.141 -9.045 -18.070 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 -8.327 7.477 16.949 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 -1.168 -5.760 -3.057 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 9.995 5.278 8.440 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 11.388 1.550 14.429 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 1.417 4.562 0.735 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 -3.649 -12.533 6.958 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 18.538 -4.498 19.010 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 -0.133 6.354 -2.975 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 -32.706 -14.965 -11.638 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 9.314 -7.507 33.221 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 8.099 -6.346 0.012 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 1.694 -21.578 -6.012 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 5.201 4.945 -6.884 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 -2.033 1.368 -2.160 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 0.079 -9.152 20.643 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 -24.246 24.715 2.997 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 4.121 -7.084 -4.976 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 -15.742 19.081 8.606 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 17.516 -2.302 -21.959 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 2.025 -1.176 4.663 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 -6.425 16.484 5.098 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 0.695 1.267 4.895 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 -1.444 3.633 -9.220 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 -3.795 7.239 -5.304 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 -0.509 -11.512 -5.424 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 1.716 4.049 9.788 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 1.644 5.913 -6.861 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 -0.495 3.660 9.888 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 -6.624 3.937 -1.382 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 -8.096 5.222 3.008 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 -4.144 27.128 9.409 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 -2.493 -4.981 0.871 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 -13.494 -13.926 7.929 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 10.085 -14.266 2.779 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 -0.608 2.871 2.701 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 28.958 -9.231 14.878 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 18.105 10.250 -5.484 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 8.688 0.790 -0.524 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 26.245 9.984 5.073 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 10.023 -0.583 -3.407 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 0.081 4.591 -0.529 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 3.030 17.162 -11.502 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 2.372 -18.151 17.023 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 -7.613 2.738 2.632 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 -7.270 1.415 6.727 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 -27.965 -0.294 -7.369 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 -3.616 -2.149 -0.350 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 9.380 2.615 10.834 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 3.511 8.854 10.402 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 1.315 4.130 4.823 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 5.653 6.683 -1.135 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 1.433 6.371 3.355 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 3.328 -3.900 -5.991 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 -2.595 -8.083 -4.057 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 -5.883 -1.961 -10.460 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 -0.770 3.777 1.414 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 -14.842 19.534 9.517 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 -16.617 -11.807 -9.740 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 3.591 -1.046 -10.308 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 -8.690 -19.243 -7.843 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 4.742 -5.142 -7.668 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 -0.789 1.067 2.085 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 12.737 14.683 21.772 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 -6.964 16.475 9.919 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 -3.551 -9.795 -3.963 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 -1.696 -7.741 -15.335 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 8.061 -9.904 -7.280 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 -2.748 2.693 3.429 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 -5.642 -23.365 0.521 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 0.853 7.541 -27.031 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 -1.715 -6.901 0.804 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 11.297 -1.594 -7.216 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 3.778 -32.292 -7.207 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 1.337 -3.250 -1.017 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 -13.476 9.948 12.805 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 -45.061 3.175 -6.868 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 4.295 -1.909 -2.100 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 2.623 -2.889 -7.825 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 -2.290 -21.688 -0.323 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 -4.556 -0.047 4.011 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 -3.614 0.974 1.520 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 -8.900 20.454 -9.038 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 -2.227 -3.783 -3.929 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 26.469 -0.003 -4.104 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 0.465 8.594 29.179 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 2.548 -6.515 -2.657 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 2.934 -7.660 -0.186 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 -0.702 11.227 -13.685 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 2.419 5.665 3.113 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 -2.045 -7.348 -17.654 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 10.925 -1.689 10.669 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 -0.864 -1.438 0.413 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 -10.732 -22.185 1.047 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 -8.079 -16.968 1.462 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 9.890 5.487 -3.060 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 5.474 -7.344 -5.218 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 9.588 -11.943 0.139 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 -3.115 2.759 0.705 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 2.627 4.014 -2.649 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 4.404 2.682 -7.062 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 5.325 -1.241 6.194 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 4.162 32.166 -6.149 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 1.811 18.384 -1.615 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 -4.361 2.779 -0.703 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 -11.063 0.850 1.780 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 -3.542 9.174 -4.075 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 2.392 1.474 6.337 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 -0.594 -5.782 -13.880 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 0.139 -3.196 13.832 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 -4.951 2.017 3.565 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 -26.030 -11.065 -0.668 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 8.449 9.785 7.188 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 -3.912 -0.115 2.752 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 -1.009 -8.863 -1.780 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 3.251 -31.306 -7.521 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 4.069 -2.358 -2.366 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 -4.452 22.755 2.154 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 2.083 18.729 -2.680 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 -8.368 -3.758 -4.518 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 -21.117 -12.963 -7.429 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 -9.428 15.823 -7.531 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 5.295 0.366 -4.367 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 0.276 2.084 -10.748 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 -11.275 -12.632 -3.630 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 5.788 -1.682 -1.926 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 -14.611 19.674 4.166 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 35.107 -20.622 17.665 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 -1.136 2.087 3.633 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 -3.447 -0.656 -1.370 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 -2.194 -0.761 4.686 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 6.213 -0.748 -6.252 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 -10.492 -15.898 -21.367 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 10.685 17.534 -17.342 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 1.480 -6.819 -0.221 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 11.050 -6.449 15.620 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 16.758 11.477 -6.680 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 -2.682 2.693 -2.118 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 -3.004 2.469 -2.210 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 -9.616 2.516 1.568 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 4.478 2.438 -3.565 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 7.281 17.052 18.248 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 34.628 3.982 -12.919 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 1.491 -0.066 -3.820 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 -6.874 5.440 -19.361 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 -5.593 -3.443 -0.374 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 3.795 -0.655 5.133 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 -7.604 25.279 7.849 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 2.832 6.702 25.465 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 2.214 -4.350 5.178 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 5.088 -1.069 -23.983 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 2.674 22.933 13.993 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 -8.376 -1.141 -0.412 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 -17.002 7.816 -15.391 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 -11.246 2.381 -4.115 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 0.469 0.936 -2.762 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 1.108 1.416 6.017 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 0.362 10.091 -0.974 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 1.442 -1.758 -3.837 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 -2.299 -5.986 -13.937 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 -0.861 -2.966 -8.533 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 -1.850 5.778 -0.624 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 2.655 -0.258 2.283 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 3.712 12.850 -10.392 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 -4.313 -4.532 0.192 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 -4.202 -3.840 -3.739 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 -8.706 -6.365 0.954 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 2.491 2.576 0.160 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 -3.317 13.924 -3.968 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 10.820 2.482 6.408 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 2.166 8.358 1.554 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 -5.811 -11.979 -15.245 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 -9.501 -13.905 -29.589 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 -8.404 -4.612 0.373 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 -25.878 -2.966 -6.983 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 4.144 0.637 6.998 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 1.417 5.511 5.267 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 13.223 -26.747 3.190 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 1.009 7.631 16.213 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 -5.044 0.441 -0.777 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 -19.117 -3.176 14.087 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 -21.192 -4.895 19.942 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 -0.116 -5.948 -2.557 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 -6.640 -26.535 15.549 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 -2.981 1.747 -3.045 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 0.738 -0.901 0.830 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 -12.180 12.059 15.782 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 3.147 11.592 -20.223 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 -3.963 0.923 -0.135 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 -9.011 -3.458 -16.035 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 5.188 14.717 -4.399 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 -6.860 -2.954 2.670 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 -13.553 5.928 0.450 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 -13.652 -15.869 16.419 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 -11.026 5.948 -5.988 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 -1.908 16.047 0.539 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 -14.889 6.341 -7.864 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 2.951 3.178 -6.915 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 0.644 -0.098 -17.316 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 5.231 -6.284 -2.467 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 -3.140 6.731 -0.440 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 -10.260 18.225 10.038 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 -16.606 -17.956 2.250 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 -8.629 0.463 -2.498 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 5.995 0.630 -0.760 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 27.946 -0.457 5.595 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 3.884 1.568 4.777 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 4.988 7.414 7.258 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 -4.727 5.990 9.526 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 1.324 -7.085 3.302 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 -17.969 11.080 1.076 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 2.475 0.875 11.705 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 -4.413 -2.052 -5.605 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 7.271 -14.424 -14.333 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 -15.904 12.928 6.479 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 -0.037 -4.382 -1.024 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 7.138 0.065 4.363 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 -23.020 4.073 -5.717 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 2.966 -0.701 4.996 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 4.643 4.908 14.871 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 9.211 -7.902 8.448 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 -0.877 4.649 0.482 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 17.072 11.773 2.123 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 -2.347 -9.684 1.192 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 3.077 0.515 -2.394 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 -3.052 -1.094 2.551 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 -6.460 -2.213 -13.613 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 -3.795 -8.111 -7.502 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 -2.292 -1.643 -4.163 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 21.064 -28.570 16.787 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 -4.331 3.288 -2.813 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 16.224 -19.450 2.736 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 -27.775 -11.232 12.918 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 -2.923 -1.167 1.700 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 -7.995 28.422 1.067 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 -10.290 19.184 12.413 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 -8.099 -0.044 4.318 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 -10.081 0.099 -3.424 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 -17.649 -15.829 -16.648 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 1.342 -3.446 1.076 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 -3.257 30.208 -35.391 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 4.869 5.529 -1.153 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 0.942 -4.386 -2.879 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 -23.858 -9.735 3.041 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 -2.943 0.949 12.419 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 5.179 -2.817 3.340 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 -9.746 -28.694 19.816 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 -5.209 24.951 18.912 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 -2.115 0.222 -5.897 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 4.461 -3.930 -22.418 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 -2.576 22.478 0.906 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 -0.015 -0.986 0.520 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 0.707 5.730 10.686 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 -7.253 -26.633 -4.901 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 -0.333 -0.273 -0.072 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 1.703 -14.728 -9.831 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 -7.284 1.635 16.021 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 1.877 -1.961 1.849 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 22.442 2.464 -6.826 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 -3.654 18.671 9.266 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 -2.293 -5.129 -0.239 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 -8.331 -1.513 10.072 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 1.533 -6.977 -5.749 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 2.518 8.704 -1.142 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 -1.596 14.147 5.661 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 11.407 -2.616 -7.382 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 -4.575 -3.813 2.537 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 4.107 -20.650 7.209 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 -6.480 -6.530 -4.241 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 0.973 3.501 -2.850 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 7.599 -4.732 -4.454 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 6.860 2.879 1.054 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 7.176 0.098 3.916 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 -26.956 -6.519 -3.240 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 9.625 -2.406 0.203 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 0.066 -6.160 0.522 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 -19.221 -10.039 13.439 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 -2.193 -0.392 -1.385 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 3.452 -0.713 3.602 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 24.007 -19.310 -11.308 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 4.785 -6.178 5.526 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 1.758 -4.242 8.631 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 13.992 -5.238 16.907 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 -21.528 -15.856 -15.081 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 -5.344 0.529 -2.885 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 0.630 27.480 8.709 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 1.690 5.560 -5.789 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 -6.242 3.371 2.452 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 -7.080 3.959 8.971 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 -0.020 4.943 1.623 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 3.371 -10.576 6.093 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 -4.678 5.746 -3.326 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 -3.439 13.702 -4.742 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 -0.870 1.124 -0.414 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 -11.437 16.007 -12.786 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 8.207 -24.200 -14.901 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 -2.901 -1.775 0.379 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 -14.269 -11.010 -2.773 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 4.538 -0.597 -13.276 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 -7.447 -1.608 0.689 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 -13.750 -4.041 4.308 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 -5.971 -1.859 9.009 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 -1.512 3.457 4.031 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 4.506 8.721 4.109 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 -7.280 1.302 14.203 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 4.176 -2.090 -2.606 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 10.627 -39.678 36.259 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 -3.989 23.949 -24.575 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 0.198 -4.770 4.184 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 -2.135 4.408 3.827 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 7.766 -2.039 -4.787 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 2.552 -0.564 1.009 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 22.661 -2.696 -16.316 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 8.258 -41.036 1.142 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 -0.088 -3.535 1.144 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 -2.184 49.118 23.017 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 0.321 -16.688 -6.475 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 2.852 -1.313 2.400 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 0.963 -1.682 1.694 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 1.465 -0.409 3.737 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 2.837 6.444 -0.188 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 5.629 -6.035 3.600 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 1.205 2.402 0.947 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 -0.963 8.227 -0.918 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 29.149 35.878 11.861 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 -14.499 1.155 -4.802 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 0.383 0.762 1.465 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 -27.568 -0.527 4.028 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 2.386 26.730 -2.795 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 -3.098 -1.501 5.237 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 10.876 -11.623 3.720 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 -21.846 -6.954 1.724 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 0.157 -4.860 -2.067 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 -1.817 -10.751 -2.963 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 -3.594 0.483 1.978 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 -2.156 -1.205 8.956 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 16.310 -10.808 12.871 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 -4.961 -13.515 4.917 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 -3.635 -8.262 -3.017 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 -0.461 24.447 11.341 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 7.999 4.571 -4.516 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 3.370 1.126 3.531 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 15.782 -3.698 -3.733 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 -0.483 -1.642 11.728 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 4.595 2.692 0.015 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 9.465 -10.478 33.312 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 5.298 -5.905 7.637 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 1.259 -2.028 1.348 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 -19.706 11.513 -10.919 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 5.559 -19.287 -4.402 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 -0.535 0.998 3.406 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 -3.752 12.613 -17.753 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 21.189 -6.688 3.135 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 4.305 -5.766 -3.083 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 3.553 -2.535 -5.313 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 3.286 -9.303 -1.316 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 3.849 0.845 1.244 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 -7.500 8.909 14.473 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 5.811 -4.716 -6.185 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 1.299 -2.262 -2.699 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 28.266 -0.722 -6.570 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 22.739 12.423 -19.162 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 -6.112 3.289 8.284 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 13.979 -15.889 -2.130 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 -8.785 -2.563 -34.136 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 -5.769 7.380 2.694 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 -3.761 3.433 -5.073 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 6.550 -12.500 -33.767 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 4.187 -4.683 0.016 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 -3.063 -1.246 4.731 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 23.890 -7.402 -25.993 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 1.838 -1.038 1.495 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 17.395 -13.083 4.913 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 -12.325 8.432 11.048 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 13.531 -0.614 7.543 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 6.470 21.480 -13.665 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 -2.552 22.742 -21.784 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 4.144 3.374 -0.309 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 -5.940 7.683 6.236 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 -1.567 8.992 -15.734 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 1.694 3.497 -1.378 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 -11.475 11.062 -13.389 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 16.840 12.547 -6.459 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 -3.992 -3.842 -4.560 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 -0.655 -8.500 -9.124 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 -5.296 7.406 5.386 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 -9.725 0.646 -3.574 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 -4.060 14.965 8.456 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 -2.569 -9.959 -16.886 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 -4.771 -7.002 -1.063 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 -13.725 -5.632 -0.022 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 -21.177 -4.941 -9.571 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 -4.688 -3.131 1.680 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 -7.116 -7.881 4.851 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 2.414 -8.332 -2.864 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 -2.732 -1.098 3.382 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 17.038 -4.611 5.477 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 -6.922 -10.641 10.048 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 -5.455 -0.507 3.823 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 -7.122 -22.427 22.520 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 -9.114 -12.072 16.234 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 5.201 -1.529 -1.245 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 12.791 2.258 -0.942 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 -17.891 -7.573 -2.259 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 3.324 4.769 -4.095 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 1.870 4.188 -7.848 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 3.074 2.496 -21.539 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 3.169 4.785 6.072 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 15.714 1.767 17.449 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 8.729 3.335 -2.542 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 -0.870 -7.730 -2.869 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 3.815 -19.705 -3.868 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 2.329 -11.441 -7.530 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 6.316 -4.868 -3.646 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 3.341 -10.656 5.280 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 18.820 -9.858 -0.702 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 3.788 5.795 3.311 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 -13.624 2.555 3.562 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 0.750 20.056 3.671 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 -2.216 5.078 -1.696 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 -12.379 3.031 2.507 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 4.159 -11.524 -24.239 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 2.360 -4.563 -0.562 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 6.539 -4.242 3.850 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 2.357 -6.494 -1.928 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 0.309 1.347 -6.024 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 9.962 -5.323 2.595 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 -9.852 10.624 -7.232 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 -6.791 -3.852 1.009 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 -25.898 -6.878 -5.012 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 4.429 -2.504 17.485 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 -0.065 -4.668 -3.900 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 27.257 -9.450 -21.495 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 -20.882 -12.769 -4.202 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 13.637 4.092 3.658 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 1.955 13.191 12.033 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 11.649 24.688 20.483 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 -2.905 2.758 -5.616 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 27.681 16.025 -6.899 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 1.277 -5.574 -2.745 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 -2.139 -4.363 -3.835 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 -1.255 -3.727 3.414 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 1.717 -4.684 -6.161 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 1.526 -0.285 2.706 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 -5.010 -24.749 6.414 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 16.817 -8.687 6.957 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 -0.369 3.010 1.158 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 -5.401 -1.996 10.200 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 -5.413 -13.003 -8.102 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 -1.209 1.242 1.693 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 -16.961 15.370 -4.194 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 11.632 -10.269 10.120 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 12.022 -5.006 -3.259 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 -3.012 -0.895 8.314 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 12.658 -6.604 0.339 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 3.409 0.540 2.009 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 -2.288 -4.229 -7.098 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 -6.887 8.595 7.530 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 -0.462 3.053 0.308 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 -9.067 15.508 -0.108 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 -7.847 -17.642 -4.370 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 5.383 -0.636 1.635 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 15.869 9.235 3.808 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 -24.514 -0.591 16.810 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 -0.018 2.755 2.869 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 -13.810 6.579 15.865 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 1.888 -4.325 0.776 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 1.551 -0.811 5.742 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 -1.682 1.762 -0.930 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 8.727 0.650 4.424 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 0.539 -3.917 1.684 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 1.959 -7.447 11.036 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 -0.162 -3.927 2.652 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 0.609 1.105 2.203 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 5.215 -0.443 -16.303 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 10.291 14.886 9.480 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 -0.027 0.066 1.790 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 22.345 0.307 24.942 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 -16.519 5.781 24.687 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 1.286 3.248 1.195 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 -17.710 34.849 9.292 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 1.024 -24.328 -15.564 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 2.159 9.110 6.985 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 0.189 14.652 15.806 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 17.071 21.379 23.816 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 -0.448 -0.658 2.049 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 -24.724 30.294 -4.937 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 -16.494 -2.465 -4.572 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 -7.506 6.671 -2.233 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 -14.593 6.154 -4.080 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 -10.767 4.771 12.718 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 -4.152 6.971 0.304 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 -2.769 3.568 7.254 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 2.132 8.500 -2.973 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 -2.588 1.888 1.832 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 -34.699 16.216 -11.522 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 -0.467 1.684 2.229 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 1.750 -7.270 -3.149 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 3.998 -15.547 4.569 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 3.143 -10.916 -13.611 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 3.904 2.792 2.525 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 -19.166 -5.899 -39.266 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 12.377 3.223 15.742 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 2.370 4.147 -3.729 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 -7.082 6.512 17.788 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 0.436 11.345 -22.080 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 1.473 -1.983 -7.451 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 1.693 -11.221 -14.738 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 21.491 5.855 -8.656 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 2.911 -7.951 -5.747 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 7.542 -7.110 -3.034 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 -16.232 -12.873 17.124 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 1.905 -3.716 -3.830 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 -15.011 -4.555 -27.013 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 4.118 -21.352 2.287 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 -4.112 1.495 -5.795 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 0.484 -2.451 21.174 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 -2.384 21.029 -8.349 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 9.454 1.455 2.946 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 16.874 3.853 9.963 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 11.067 2.581 -10.125 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 -6.526 1.235 -5.773 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 -4.001 -4.732 -8.031 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 -1.577 6.041 -7.166 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 2.818 -4.262 5.281 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 13.440 20.081 7.202 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 -0.819 6.991 -14.944 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 -5.921 -7.325 2.200 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 1.369 -14.063 1.436 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 -3.421 -0.298 -4.674 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 1.254 3.338 1.907 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 22.516 -4.184 -1.137 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 5.709 2.961 26.686 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 5.970 1.827 5.212 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 10.582 9.559 -1.226 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 9.909 19.723 -3.773 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 8.945 -1.220 2.329 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 15.524 8.386 8.613 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 -10.027 -1.477 -3.367 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 0.894 -0.198 -0.758 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 16.299 -1.034 -4.784 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 -17.333 -1.905 -9.173 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 -2.368 2.567 -2.875 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 -21.231 0.458 20.878 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 -8.798 -2.013 10.833 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 -1.021 2.676 -3.162 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 23.790 -26.091 -11.934 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 -10.561 9.591 16.307 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 5.135 0.425 -0.613 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 -27.279 -12.496 -14.657 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 9.535 10.686 23.115 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 2.070 -6.171 -0.936 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 -5.500 23.825 3.880 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 -4.132 -19.799 -3.419 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 -1.425 0.779 -2.610 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 -2.381 11.778 22.098 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 0.312 -28.909 21.197 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 -0.202 -2.715 -0.823 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 6.577 -5.985 5.469 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 -3.786 0.976 -3.358 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 1.860 -5.960 -4.586 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 -6.371 -2.686 -10.312 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 9.964 1.321 -6.538 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 -1.575 4.930 1.303 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 -25.153 -6.651 -3.529 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 5.361 5.018 11.332 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 5.881 1.876 -5.142 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 12.937 3.938 -3.311 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 17.748 7.803 -6.166 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 -2.182 1.667 -0.056 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 4.582 -17.202 -6.286 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 -11.060 4.043 0.062 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 -5.533 -1.281 -0.719 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 15.911 9.791 2.005 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 -9.212 1.005 12.483 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 1.230 0.951 4.925 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 -2.409 -4.566 -19.405 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 -9.125 -32.319 20.359 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 -0.768 -5.888 4.661 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 -8.703 -18.999 12.121 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 -9.598 12.693 4.227 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 -3.909 -2.195 7.130 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 -5.984 -9.891 -2.568 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 -11.483 -6.526 16.155 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 1.792 -3.261 -4.235 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 7.752 -13.463 -5.714 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 -4.925 -2.827 6.053 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 3.553 -7.802 -3.858 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 2.196 3.595 8.560 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 -16.154 15.741 21.080 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 -7.867 0.631 -6.513 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 0.349 -5.154 -11.808 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 -7.499 4.442 -16.340 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 2.375 -0.228 3.702 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 -11.514 -20.270 2.209 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 22.820 -1.548 -8.929 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 5.979 6.866 4.259 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 18.495 15.048 20.182 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 13.866 8.254 -13.264 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 -4.434 0.794 1.463 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 0.196 -7.424 7.414 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 15.286 -2.566 -6.964 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 0.533 1.425 1.206 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 -3.820 -1.149 7.533 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 5.133 18.609 26.741 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 -1.426 3.629 -0.748 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 -11.613 -20.243 2.015 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 8.082 0.493 -3.617 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 -1.397 -3.872 2.136 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 -1.322 -0.184 2.173 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 1.477 -3.510 1.040 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 -1.497 2.615 1.774 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 -11.296 4.501 -6.410 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 -7.552 2.956 -2.922 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 3.626 3.588 4.038 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 10.369 12.597 8.742 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 16.287 22.871 -4.416 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 4.203 -4.705 0.469 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 -6.443 -12.533 15.288 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 25.608 17.322 -6.923 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 -3.453 -2.882 -2.505 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 15.342 -13.107 3.728 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 5.479 17.767 -4.035 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 -3.087 -0.481 -4.309 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 -2.009 27.540 5.237 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 -13.988 -41.133 2.808 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 5.853 -1.600 -2.459 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 7.324 1.905 -0.612 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 4.406 -8.305 -5.907 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 -9.076 2.592 0.987 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 -21.201 -6.427 5.257 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 -0.220 10.629 -1.230 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 -2.089 3.250 2.026 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 4.139 16.931 -1.110 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 -4.125 -8.897 -18.031 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 1.266 7.734 -0.313 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 -7.894 2.861 9.592 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 1.853 -7.814 -20.698 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 1.213 2.969 7.801 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 11.747 12.674 0.189 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 7.440 16.761 1.723 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 6.461 -4.006 6.459 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 13.942 1.608 -4.767 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 -0.612 -10.304 -0.692 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 0.263 2.892 4.873 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 4.733 -31.282 3.113 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 -25.284 -5.099 13.038 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 3.086 -3.444 -5.745 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 11.622 -20.912 9.015 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 -12.246 8.536 7.747 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 -0.499 -2.572 -2.774 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 9.832 13.705 -2.158 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 -1.305 2.750 -2.225 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 -6.605 2.626 -1.829 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 -26.947 -10.475 -14.480 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 2.577 16.515 -10.076 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 -4.520 3.457 7.365 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 -32.975 18.591 -10.356 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 16.662 -16.094 31.404 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 4.849 -7.584 0.082 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 13.230 1.543 -10.578 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 -12.722 -1.751 0.598 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 -0.334 2.370 -1.278 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 0.341 -20.560 -3.551 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 -0.751 13.118 -2.170 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 1.609 3.533 -4.627 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 10.765 5.716 11.229 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 -11.358 2.061 -2.216 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 1.021 1.146 3.044 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 -5.417 -2.556 6.823 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 -19.337 -3.613 22.866 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 4.774 -5.442 -0.129 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 -13.251 -16.246 1.707 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 -12.043 14.207 14.258 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 -0.667 -3.956 -1.208 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 -1.085 -3.307 -1.126 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 -12.593 3.314 2.951 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 -2.519 0.654 -1.770 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 16.016 18.585 16.006 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 -27.500 -18.835 11.623 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 -1.330 1.323 3.611 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 1.704 -9.620 39.786 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 -0.754 1.634 2.191 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 -2.735 -1.774 -1.293 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 4.628 11.677 -1.314 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 4.443 -14.917 3.285 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 12.164 2.668 -2.668 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 15.544 -27.764 11.446 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 9.321 -14.013 -8.771 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 4.196 -1.814 -5.646 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 -1.528 8.974 -24.807 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 8.023 -12.456 -1.072 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 -1.611 0.320 3.219 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 -7.497 23.444 -8.562 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 -7.332 22.812 -7.223 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 -5.813 1.088 3.684 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 -4.213 0.349 7.889 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 2.323 -4.141 5.200 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 1.413 5.153 -1.728 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 7.512 14.482 9.215 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 15.916 10.923 3.120 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 -0.908 1.406 2.087 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 -5.795 19.962 -6.650 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 -12.377 -25.498 -16.681 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 2.800 -0.970 -0.585 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 -4.212 0.522 -2.435 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 5.048 8.932 -4.701 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 3.388 -5.188 -1.726 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 -11.869 7.933 -4.315 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 -5.012 -5.907 -19.857 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 -3.808 -5.088 2.974 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 10.255 4.810 -7.666 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 -2.245 -3.113 1.367 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 5.121 -2.311 4.556 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 9.944 -6.234 8.341 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 -8.534 35.909 24.866 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 -2.550 -0.716 -1.242 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 -4.830 3.900 5.281 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 0.927 8.724 0.060 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 -0.775 5.174 -1.038 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 -3.712 -7.220 -13.464 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 -8.142 -2.209 -16.720 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 -5.247 -1.735 -3.840 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 19.451 -3.551 2.341 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 -18.199 11.301 10.574 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 -1.200 1.380 1.151 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 2.954 22.422 -9.482 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 -17.331 -21.561 -19.740 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 2.849 2.782 2.260 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 -21.926 3.328 6.443 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 4.017 4.449 2.810 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 -7.032 -2.845 -0.617 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 14.043 23.987 -0.173 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 -17.842 -16.613 -0.437 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 2.912 -2.905 3.696 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 8.781 -0.814 -8.926 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 -3.969 5.035 3.789 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 -3.253 -3.232 -2.536 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 2.005 27.336 8.306 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 11.683 -12.779 2.013 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 2.180 -0.891 1.146 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 -1.889 -0.540 1.291 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 0.378 -12.219 12.481 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 -8.086 -5.587 -2.650 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 -8.378 -12.092 4.543 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 1.811 26.499 7.591 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 -4.412 10.338 -0.451 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 7.879 4.690 4.397 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 2.818 6.385 3.052 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 -5.265 -5.072 -3.408 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 5.805 -10.171 5.793 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 -7.648 15.518 -23.175 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 -0.891 -1.235 4.636 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 -7.992 -5.142 -3.825 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 8.096 1.461 -3.379 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 -2.215 -0.450 -2.820 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 -7.092 5.091 -2.760 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 -7.121 -5.817 27.029 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 -0.656 4.798 -1.632 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 15.235 -16.005 -12.993 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 -13.794 -5.208 -9.213 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 5.778 1.475 0.031 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 -1.186 -6.081 9.787 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 8.750 1.803 5.658 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 -1.200 2.421 -0.534 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 -1.357 -1.268 -6.483 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 -1.831 -9.589 -19.095 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 5.542 1.655 3.998 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 -3.045 -28.828 10.047 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 9.061 16.274 7.424 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 0.617 6.486 -1.503 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 -12.456 -12.322 5.276 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 2.469 4.283 3.157 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 3.195 3.592 -6.061 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 18.111 -11.103 16.963 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 -0.932 20.269 -2.405 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 2.029 -3.081 -6.572 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 21.514 -7.896 2.868 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 -4.426 14.717 -5.157 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 5.453 0.559 -8.306 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 -8.659 -3.766 -14.989 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 11.228 2.187 -5.390 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 0.710 -2.682 0.412 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 -5.763 -3.676 -8.235 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 1.641 -11.086 4.791 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 2.811 -0.142 3.062 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 -0.096 18.761 -19.330 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 0.753 -1.902 4.967 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 4.433 2.598 0.384 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 -2.798 1.932 -1.197 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 -4.148 10.483 0.805 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 0.099 0.551 -2.277 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 28.580 17.873 26.467 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 -6.315 4.166 4.999 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 0.946 -2.588 -6.455 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 5.431 7.392 7.463 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 13.884 4.183 -16.532 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 -8.614 2.515 -3.136 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 -9.550 0.799 -6.798 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 1.431 -7.001 -7.201 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 -2.131 -6.405 2.168 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 4.154 -11.301 -34.535 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 17.264 26.976 -14.065 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 2.023 5.711 6.647 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 30.272 2.917 12.305 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 -13.613 6.989 1.142 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 4.602 1.287 -2.351 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 -3.877 3.037 11.997 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 -2.730 11.628 -13.628 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 -3.863 3.394 -3.948 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 52.087 12.324 13.630 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 15.571 -2.726 12.974 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 2.500 0.337 -2.334 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 3.905 -22.671 4.055 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 -6.234 -16.418 -10.932 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 0.832 -0.993 0.655 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 15.627 8.877 -0.611 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 -12.346 -14.819 15.195 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 1.857 -0.794 -2.290 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 -5.442 -14.050 -5.705 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 8.650 -5.564 -11.653 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 -1.708 -0.171 0.011 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 9.397 10.223 -1.223 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 3.727 -2.626 6.531 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 -5.392 -2.792 2.980 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 -7.094 -11.429 19.498 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 15.086 -0.911 8.370 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 1.217 6.027 -4.252 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 14.196 -4.078 -17.955 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 -2.798 10.341 2.905 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 1.681 -2.901 3.015 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 -11.510 -9.838 -0.336 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 -11.365 4.947 6.608 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 -3.212 4.255 -5.564 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 -20.812 1.399 -23.532 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 4.135 29.299 15.653 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 3.197 0.627 2.475 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 8.111 -5.243 4.364 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 23.221 -4.546 12.523 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 -0.939 1.475 -2.304 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 0.914 -30.236 13.368 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 0.662 4.246 -3.578 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 0.930 1.550 -7.292 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 27.355 10.503 21.423 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 0.535 3.583 -27.369 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 1.336 6.924 1.070 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 -7.922 -4.669 6.944 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 1.760 -0.171 0.663 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 1.402 7.058 -3.110 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 29.596 0.576 -20.104 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 -15.949 -4.697 -6.553 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 -0.319 -8.442 5.029 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 -4.094 -9.231 3.842 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 6.192 -7.712 4.895 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 -7.178 7.282 -1.105 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 -3.769 8.515 -5.812 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 -9.643 4.218 6.229 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 -0.845 4.659 1.690 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 -14.458 6.411 0.092 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 -13.478 -2.490 19.869 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 4.772 -8.483 -0.417 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 -27.162 27.847 -2.248 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 23.145 -9.766 -8.158 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 4.859 4.307 -4.948 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 8.331 13.079 -1.398 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 3.498 2.174 -5.692 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 4.675 -3.227 -3.088 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 2.766 2.037 -2.837 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 -45.533 -1.313 -20.584 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 -3.551 4.455 0.855 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 -3.082 -6.710 0.098 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 -3.511 6.949 0.353 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 9.087 6.559 -3.628 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 6.060 18.204 1.607 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 11.685 -1.954 6.523 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 -4.685 -3.692 -7.235 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 5.353 1.481 7.799 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 -13.289 2.440 -18.532 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 1.035 0.021 -6.449 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 -3.037 -6.233 -24.384 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 -23.120 13.065 -3.496 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 8.679 -7.461 4.315 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 -2.927 18.803 4.672 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 -8.057 16.143 12.186 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 3.644 3.395 3.650 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 -23.628 -2.325 -0.386 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 0.902 30.824 9.144 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 0.179 -2.376 -0.602 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 10.770 3.627 27.418 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 17.463 2.000 33.323 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 -0.303 -7.677 -2.814 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 7.860 -4.646 5.532 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 6.857 -15.050 -11.285 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 2.509 -3.683 -3.512 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 -11.110 -1.769 -15.972 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 20.103 10.652 3.933 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 -8.055 -0.443 1.060 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 -14.480 -2.281 8.484 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 -3.740 2.579 -7.341 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 -4.553 2.629 0.758 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 -5.485 3.299 3.192 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 -2.384 3.986 -13.724 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 3.082 0.425 1.650 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 12.846 -9.904 -13.918 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 -3.194 5.431 1.364 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 -3.761 0.243 1.656 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 -3.066 4.994 3.222 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 -17.471 -19.819 18.546 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 -5.150 -3.700 2.998 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 7.708 2.626 12.228 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 -5.923 6.217 -10.167 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 1.379 -7.886 -4.788 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 7.290 -10.650 4.319 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 23.705 -13.121 -21.613 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 0.135 2.571 11.520 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 -12.600 -4.929 26.070 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 -7.503 -2.703 23.241 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 -7.010 4.248 3.708 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 23.541 4.190 22.146 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 1.396 29.157 14.154 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 -2.641 -0.128 1.268 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 11.370 7.333 5.049 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 10.716 -34.910 17.714 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 -2.870 1.301 -0.158 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 10.587 10.615 26.688 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 1.323 -26.751 17.197 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 1.422 5.352 -1.709 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 -5.456 5.286 -5.388 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 4.384 5.979 -7.493 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 -4.333 -9.627 -0.008 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 -9.051 -17.445 6.081 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 6.810 3.683 -5.864 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 -0.022 -2.577 1.989 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 -8.274 0.088 -11.765 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 36.296 -10.904 -5.291 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 0.667 1.520 -2.407 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 2.963 4.001 -11.524 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 13.553 5.363 5.434 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 -2.583 0.986 1.255 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 4.509 8.217 26.372 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 3.458 -9.668 9.179 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 -6.914 -11.478 -12.655 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 0.533 3.158 13.944 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 11.174 14.619 26.156 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 3.389 -1.310 1.961 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 -6.467 7.414 10.123 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 -12.247 -14.058 -14.727 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 10.545 0.850 9.699 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 -22.639 3.615 14.722 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 -10.621 -4.540 12.268 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 -1.048 1.415 -3.547 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 9.658 -5.326 2.574 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 16.829 13.236 -9.432 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 -4.664 -2.634 6.519 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 -35.297 -9.605 -12.709 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 10.560 29.869 -7.947 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 8.346 3.553 2.380 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 -4.525 11.671 -11.847 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 -11.607 26.939 -13.035 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 -4.262 -8.539 -5.640 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 -2.244 -10.410 -0.019 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 -4.076 -9.224 -2.275 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 -0.662 -2.407 -5.942 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 11.758 -5.089 -6.873 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 13.691 4.435 4.315 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 4.206 0.018 3.478 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 11.525 7.180 7.695 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 10.969 -7.478 -4.796 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 -0.277 1.297 -3.571 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 -19.550 3.513 -13.000 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 -10.424 8.067 -18.980 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 6.412 4.702 -0.578 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 -1.231 -6.291 -7.150 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 -14.820 5.398 -1.526 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 6.509 3.103 -1.586 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 10.547 0.217 -9.725 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 9.384 -4.744 8.225 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 -1.655 -7.384 -0.769 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 15.455 -15.337 -6.500 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 -3.670 -15.396 0.061 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 -1.279 4.870 1.625 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 -9.487 11.557 5.136 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 8.126 -0.179 -24.971 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 2.573 0.215 -1.190 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 -0.620 13.285 -1.537 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 5.672 -33.673 -3.099 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 -0.489 3.780 -2.127 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 0.460 -4.220 28.305 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 -8.079 -15.462 -21.494 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 -6.202 -4.273 1.727 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 -4.064 10.252 -4.451 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 -9.239 5.064 -3.863 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 3.061 -2.479 4.417 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 -7.687 -2.489 -18.967 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 -0.099 -33.962 3.352 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 -0.925 1.000 0.895 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 3.523 -1.196 -3.962 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 -15.472 -2.620 5.897 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 -6.948 2.787 1.986 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 -3.792 7.883 -3.042 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 0.033 -17.836 -0.271 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 -2.822 -4.750 0.064 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 -7.039 8.959 -3.774 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 -12.670 -12.725 -6.903 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 0.521 -11.917 -0.621 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 -15.636 -13.477 3.197 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 7.525 -3.035 10.829 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 -0.052 -3.681 0.308 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 2.705 8.756 4.359 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 1.564 -6.075 -1.607 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 1.716 1.521 3.370 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 8.544 -3.130 22.170 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 -7.319 -3.672 -17.617 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 7.583 -5.838 -0.897 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 -6.862 -6.422 -3.673 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 -22.797 -7.986 1.655 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 0.535 3.129 -5.239 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 -9.931 -17.252 14.907 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 -10.864 13.871 17.500 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 -8.912 2.698 1.911 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 21.175 -11.087 -7.088 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 14.270 -8.859 5.326 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 -3.599 -3.266 2.788 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 -21.118 -38.796 -13.144 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 30.606 3.864 -21.013 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 -6.104 -1.108 7.869 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 19.069 10.429 -14.198 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 -8.840 -1.337 2.055 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 6.354 5.335 -0.195 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 3.432 6.301 2.320 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 6.880 5.453 -2.033 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 -3.301 -2.247 4.600 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 3.897 -12.183 6.137 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 16.898 7.298 -5.766 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 -1.726 -4.552 -0.072 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 21.914 3.749 -15.524 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 -21.130 13.091 -8.947 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 -0.520 1.291 -1.086 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 -23.370 -6.081 5.043 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 5.386 -8.814 -3.046 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 2.580 -2.473 -5.842 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 -7.139 -13.582 -5.391 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 10.260 3.464 -22.588 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 -3.296 -6.370 -1.636 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 -7.597 -3.391 -8.112 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 0.535 13.688 14.494 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 7.380 -4.019 -2.650 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 13.253 17.930 0.841 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 28.963 1.039 10.772 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 6.415 5.347 -0.271 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 16.553 0.416 -20.393 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 7.863 18.855 -6.556 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 2.787 2.864 3.940 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 9.794 -0.874 -9.016 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 -9.507 -12.166 3.348 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 2.217 3.898 -3.952 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 16.314 9.857 -9.249 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 28.101 23.037 -15.372 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 5.263 4.995 4.267 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 -3.295 3.986 -6.387 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 -12.029 -1.816 10.798 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 1.693 0.103 3.603 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 6.360 25.574 -10.182 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 9.927 7.736 -15.036 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 1.320 3.714 2.888 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 4.434 2.688 3.955 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 15.038 -2.654 8.240 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 -6.931 -0.130 2.977 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 -21.962 5.668 -2.229 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 -5.907 -1.636 3.513 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 -6.651 4.458 -5.298 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 0.309 -1.723 3.540 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 -9.924 -13.109 3.838 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 -0.644 -7.301 5.898 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 -3.519 -14.411 5.329 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 9.207 14.403 4.391 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 -4.230 1.539 2.170 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 -15.868 -20.829 -0.465 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 5.109 -5.353 3.971 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 -3.494 -6.977 2.406 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 4.700 -26.632 -5.648 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 6.793 -17.456 16.217 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 2.047 -2.356 -0.530 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 -0.935 25.558 13.469 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 -6.886 26.151 9.354 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 1.199 -1.133 -3.314 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 1.595 -17.193 12.440 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 2.723 -5.579 -16.254 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 4.597 7.403 -2.269 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 -12.822 -7.439 -2.131 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 -20.585 -6.100 -7.969 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 -4.945 0.693 1.152 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 10.704 -0.343 -9.660 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 9.807 0.421 -9.310 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 2.884 0.309 -2.122 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 7.329 -8.954 -3.685 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 2.414 0.650 -2.286 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 3.282 -3.528 0.297 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 -1.663 0.560 19.990 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 10.772 -18.525 -6.635 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 2.663 5.795 -3.075 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 7.553 8.578 -0.470 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 5.795 13.424 -5.437 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 -3.731 -1.889 -1.952 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 2.076 -2.243 -22.389 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 -5.787 -2.626 0.050 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 4.386 4.890 0.486 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 2.803 -8.435 22.656 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 15.607 -0.044 3.538 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 -2.195 1.846 -0.081 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 -0.232 -0.333 -2.707 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 1.237 -3.379 -10.042 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 0.293 -4.259 1.085 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 5.748 -11.308 5.227 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 -2.676 -19.179 -1.795 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 -1.534 4.156 3.706 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 -6.914 -20.623 -13.242 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 -2.418 -9.416 0.170 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 3.897 1.966 7.707 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 -19.540 -16.313 8.194 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 -3.284 29.416 -16.381 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 2.404 -0.130 9.613 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 -7.144 -8.429 28.353 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 -12.992 -17.328 -8.738 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 2.367 -1.644 -0.010 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 16.523 0.334 3.073 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 -2.267 -1.322 -0.505 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 2.934 0.391 3.332 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 -2.681 10.294 -1.115 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 1.187 14.774 -33.167 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 3.442 -0.578 -2.916 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 -13.772 -2.770 0.996 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 10.615 -0.685 5.680 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 2.035 -0.822 5.537 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 -5.691 12.199 7.619 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 -3.474 19.426 -11.312 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 5.035 3.182 4.006 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 -0.268 11.330 0.874 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 2.759 -7.608 -3.391 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 2.904 2.047 -5.657 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 -28.025 12.156 18.097 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 -5.220 -3.043 13.624 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 -1.643 5.827 -3.859 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 16.836 16.144 2.989 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 -0.448 -1.747 -29.888 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 -1.788 4.217 -0.802 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 2.217 17.270 -0.977 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 -10.367 5.950 -7.862 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 -1.502 -0.139 -2.723 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 -6.857 13.215 11.343 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 2.768 1.264 -23.879 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 5.331 1.042 4.157 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 7.771 2.535 -1.283 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 13.235 9.054 0.674 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 -3.576 3.605 8.278 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 0.515 4.530 -3.190 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 1.867 10.082 12.905 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 2.097 0.254 -7.728 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 -2.731 15.082 0.500 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 -1.854 -13.177 4.462 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 -3.787 6.894 2.768 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 -5.748 -20.417 -5.246 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 -4.403 2.206 1.507 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 -1.350 -3.989 -0.291 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 4.111 20.020 46.114 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 2.102 -13.904 -9.450 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 -1.003 2.664 -4.005 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 -4.580 -2.940 -10.548 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 2.576 11.013 -8.568 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 -0.586 -4.258 6.072 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 1.979 -9.423 9.278 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 26.500 1.238 -2.587 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 0.937 3.665 -1.098 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 -5.971 11.724 4.533 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 8.245 3.956 2.323 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 -3.047 3.276 7.581 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 -13.188 -9.502 1.775 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 17.517 -0.798 -6.596 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 2.378 11.604 2.044 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 5.485 10.002 -5.355 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 -8.047 18.088 2.345 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 7.518 1.255 -0.986 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 6.549 12.762 -1.918 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 6.352 -1.445 6.391 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 0.205 2.576 7.512 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 24.349 23.157 -0.810 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 -3.864 -34.506 -2.980 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 -3.118 -3.851 2.338 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 -32.248 -11.994 10.305 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 1.856 2.469 -4.990 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 -0.272 -0.669 5.586 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 5.107 9.995 25.339 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 12.481 -1.643 11.826 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 -2.949 -1.214 -1.471 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 -30.748 4.707 -9.527 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 4.091 -6.311 -8.962 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 2.836 4.544 -2.722 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 28.409 -16.134 -10.843 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 -1.523 4.257 23.676 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 -1.441 1.440 0.166 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 -14.906 15.298 21.623 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 -5.982 18.035 -10.339 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 1.430 -3.137 5.102 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 -5.716 -1.535 1.683 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 9.273 -21.248 -20.016 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 13.951 6.132 -3.809 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 14.955 14.101 -14.622 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 -6.813 -14.438 28.340 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 -3.306 8.062 6.140 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 0.477 5.346 -10.547 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 -0.191 16.084 14.168 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 4.099 -2.273 -7.343 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 0.256 -29.071 -14.457 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 0.136 -19.967 -10.957 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 0.550 0.387 1.737 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 11.869 -12.204 3.261 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 5.070 -5.048 9.391 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 -1.110 1.241 3.431 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 -8.214 -9.788 21.011 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 2.250 16.509 -20.821 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 3.529 -1.078 2.590 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 -1.248 -4.140 -9.476 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 -16.481 -5.526 7.335 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 -5.591 -5.932 1.361 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 -8.833 -6.554 3.990 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 -10.730 -6.687 -8.704 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 3.629 7.012 -1.386 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 27.379 24.489 21.312 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 3.210 10.859 -8.339 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 1.620 -1.326 8.581 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 14.123 16.190 12.480 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 -10.200 8.591 1.070 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 -0.861 3.557 2.264 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 9.475 13.093 22.577 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 2.025 -11.790 -5.872 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 0.527 2.487 0.042 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 6.514 -20.309 12.048 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 0.365 4.600 -3.534 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 -6.195 0.179 -3.048 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 3.219 3.691 -0.733 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 -2.155 0.552 -0.670 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 -4.678 -4.926 -1.139 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 -27.518 0.440 -8.150 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 -5.961 -26.981 -6.064 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 -1.303 -0.458 -0.326 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 1.732 14.295 10.133 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 -4.887 -12.162 3.042 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 -0.201 -7.331 -7.756 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 12.130 -36.155 -10.241 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 1.772 -11.211 -6.522 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 -8.621 -1.126 9.026 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 -12.465 -21.462 -2.350 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 -8.373 10.912 16.732 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 3.860 -3.696 10.770 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 16.430 3.325 10.919 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 -4.787 -3.524 19.334 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 1.796 4.106 0.408 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 9.385 8.171 5.915 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 -3.360 0.559 2.720 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 -3.935 1.404 -1.531 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 -7.547 -1.258 -8.891 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 2.459 -6.288 5.492 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 6.972 0.005 -5.038 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 4.198 7.843 -25.867 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 11.325 20.104 2.681 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 -10.265 -1.338 -3.520 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 -4.624 2.314 -3.714 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 -11.119 11.783 -0.802 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 -4.562 -6.805 -0.462 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 -4.982 -7.704 -0.360 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 -4.938 -6.090 -0.011 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 -5.916 4.434 -1.904 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 -11.365 3.890 -6.861 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 6.288 -7.633 5.352 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 -0.581 -1.238 3.753 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 -12.569 20.631 2.896 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 -4.267 5.463 -4.809 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 -0.113 -3.299 -2.148 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 2.772 0.817 5.337 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 0.020 -0.534 -2.632 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 -6.424 -1.937 -0.495 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 20.666 -1.686 -35.782 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 -7.601 -36.083 10.942 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 -1.937 1.855 -3.556 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 -7.820 3.658 13.713 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 -11.538 -15.262 11.264 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 0.483 -4.567 -6.238 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 19.820 -9.366 -19.093 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 -23.314 24.945 13.856 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 4.698 -1.584 -0.217 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 -0.304 -0.810 -1.749 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 12.744 5.457 15.935 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 0.507 0.453 -2.220 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 -2.798 17.015 3.025 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 -3.415 -7.154 14.735 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 -0.402 -5.148 -0.957 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 -8.311 -6.675 -35.855 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 20.490 19.393 10.014 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 -1.238 2.400 -0.700 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 12.839 20.291 -1.321 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 -24.345 -20.782 -21.305 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 1.725 -6.621 -5.188 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 -0.543 -12.123 35.093 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 -3.317 -10.372 11.940 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 4.665 2.231 3.125 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 -7.596 -6.973 2.000 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 17.388 -26.248 -4.845 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 9.529 -2.533 -4.935 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 8.644 12.325 -3.501 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 11.645 -0.340 -6.343 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 -5.261 2.965 -0.291 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 -20.522 -3.792 -5.610 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 -21.914 -0.383 13.357 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 1.391 5.420 2.198 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 -1.062 -17.651 -3.252 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 13.756 26.299 5.818 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 3.947 2.229 -2.628 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 2.524 26.607 5.465 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 1.707 -2.281 -4.809 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 0.910 -1.623 4.046 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 -11.616 3.830 8.477 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 -0.552 -2.616 17.387 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 -0.665 -1.267 1.411 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 10.830 7.581 -7.909 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 -13.817 6.505 -6.104 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 2.447 -0.997 -3.815 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 14.278 -11.776 -6.269 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 -9.649 -15.482 -10.485 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 -5.258 3.297 -0.597 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 -12.812 8.019 -12.947 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 -0.604 13.411 6.949 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 -6.480 -0.717 -3.319 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 7.376 -18.709 -7.555 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 -19.305 -9.286 -6.887 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 3.908 -3.480 0.751 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 6.169 -1.676 -1.385 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 5.659 0.341 -2.061 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 -4.118 -3.557 -2.954 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 9.876 7.713 -13.482 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 -17.060 5.870 -10.397 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 4.546 -2.692 -4.306 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 -16.071 13.566 -2.375 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 -3.769 -24.320 4.767 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 -2.988 -5.184 -3.909 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 -18.424 -2.362 -0.513 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 15.591 -9.700 6.613 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 1.534 -2.391 4.521 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 -1.229 -8.971 8.183 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 2.205 -12.847 13.186 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 0.780 -1.699 -7.279 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 10.604 13.881 11.376 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 -34.645 -3.620 -15.539 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 5.611 -0.694 -5.900 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 -8.876 -3.301 -3.755 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 15.564 0.936 -20.916 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 4.976 -1.146 2.426 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 2.016 -1.378 5.267 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 -4.477 -2.256 10.704 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 1.695 8.882 -1.579 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 15.601 12.734 5.653 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 0.412 16.702 -3.130 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 0.686 2.181 2.328 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 -1.986 -7.827 -12.630 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 4.027 21.387 14.937 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 -0.003 3.670 5.254 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 15.116 -1.964 10.904 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 0.205 20.889 3.103 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 3.501 5.406 -1.214 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 1.828 -8.968 10.172 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 -19.018 -9.448 8.799 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 -0.457 5.334 2.194 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 -9.200 9.015 -29.308 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 -14.201 1.436 11.893 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 4.203 0.973 3.912 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 -4.915 1.052 -13.416 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 -18.595 3.429 -5.610 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 -0.974 0.296 1.322 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 3.222 -6.010 -12.371 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 -6.708 5.624 -7.544 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 4.504 -2.559 10.906 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 3.186 -5.758 2.581 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 4.763 0.101 10.326 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 3.247 -4.476 -0.155 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 9.714 9.402 8.282 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 -3.147 -13.932 -4.669 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 4.134 2.795 -1.772 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 -7.182 9.886 21.695 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 12.287 -17.036 24.735 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 -2.893 -0.666 1.138 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 -2.666 2.355 1.527 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 -3.347 -8.195 2.763 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 1.804 11.190 -1.298 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 6.031 13.810 -10.149 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 19.273 13.269 -13.621 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 1.597 -6.789 -1.048 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 -2.345 -13.362 5.105 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 -2.675 1.398 1.728 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 4.994 -3.670 -9.190 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 -19.021 2.898 3.995 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 6.093 9.531 -1.744 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 -6.840 -4.367 -1.995 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 -12.698 -18.421 15.871 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 -15.856 -17.678 25.887 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 -1.667 -2.817 -2.092 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 -12.196 27.331 -15.600 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 -14.469 3.288 -1.410 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 6.001 -0.140 -6.039 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 -15.665 1.063 28.108 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 3.290 -8.647 -12.167 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 -2.846 4.154 -5.603 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 -12.560 -7.885 -11.630 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 -7.375 4.504 -6.172 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 -6.287 2.183 1.792 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 -8.163 -7.567 20.907 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 3.964 -6.838 5.092 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 0.726 -3.697 -3.155 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 -1.148 -25.762 10.583 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 -3.435 20.951 8.228 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 3.099 1.722 0.668 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 -11.521 -1.981 8.960 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 4.514 9.928 13.196 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 3.865 3.649 -0.331 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 15.473 52.014 -5.617 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 -5.191 -0.928 24.438 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 -4.999 -5.219 1.448 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 -9.789 -36.040 -14.100 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 -1.021 3.933 36.608 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 6.048 3.079 -6.696 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 4.824 -0.065 -1.679 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 0.098 0.630 4.569 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 -4.869 -0.026 -0.371 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 -3.946 -6.281 -2.855 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 -8.091 16.556 11.609 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 0.923 1.200 2.195 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 -5.199 3.340 5.268 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 5.027 0.150 8.375 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 0.134 0.280 -1.880 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 9.044 -8.576 -17.815 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 10.469 3.803 22.869 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 2.007 -1.258 -0.293 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 -11.907 -7.418 5.832 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 14.077 3.989 -37.738 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 0.937 -5.094 -4.698 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 -18.033 -2.124 -6.016 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 -0.995 2.744 -5.594 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 3.688 -0.139 1.468 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 9.090 12.032 2.987 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 -11.778 -2.029 -9.012 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 -6.631 1.610 1.580 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 -12.255 -3.784 -25.508 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 -29.023 1.103 18.631 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 -8.763 -4.938 0.074 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 6.396 -6.584 19.582 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 -19.485 0.681 -3.982 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 2.221 -3.291 -2.897 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 1.390 -3.880 -2.237 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 6.583 -5.078 -3.833 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 4.063 2.725 5.345 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 -35.241 12.821 10.652 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 28.703 -4.527 0.711 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 -4.202 -3.329 2.693 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 -11.234 1.341 -11.298 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 -15.424 -8.881 -13.111 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 0.864 0.792 5.382 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 8.156 12.686 16.879 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 0.966 5.147 3.637 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 -2.509 -0.495 3.879 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 -4.922 -4.668 7.602 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 1.639 8.917 -22.619 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 1.128 -3.060 0.912 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 18.952 8.175 1.577 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 10.880 -22.291 13.016 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 3.410 -1.673 -1.977 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 8.175 -4.494 -10.091 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 10.772 0.595 4.543 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 3.070 -5.066 -4.103 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 2.569 1.585 -0.092 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 5.979 -6.424 -13.989 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 -1.564 4.072 7.128 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 -8.229 4.565 13.817 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 -8.572 5.412 19.893 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 -7.894 -4.602 -4.735 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 -11.441 -18.455 23.176 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 -8.795 -6.588 -0.724 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 -6.762 -0.827 -0.969 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 -8.559 -4.658 -9.859 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 -3.084 -8.469 -11.595 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 -0.803 5.145 9.846 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 13.261 12.946 7.678 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 -14.826 27.798 9.326 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 -4.028 -2.991 6.319 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 10.214 -3.565 5.585 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 -13.665 -18.946 -15.985 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 -5.636 -0.248 5.803 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 16.991 -6.881 15.411 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 5.336 -15.769 3.383 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 -0.832 -7.306 4.584 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 3.315 -5.585 5.570 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 2.820 -3.884 2.031 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 -2.390 2.659 -3.181 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 3.533 -4.566 -16.683 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 6.228 1.222 7.536 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 3.864 -0.825 2.651 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 36.109 -9.238 -18.415 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 -26.613 -14.283 -18.925 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 -3.216 -6.921 0.479 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 -0.962 -2.390 -0.739 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 -1.591 5.450 -11.501 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 -4.002 0.069 1.553 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 -1.162 -8.943 -10.706 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 -10.650 -12.028 8.988 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 -1.106 0.247 6.951 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 11.423 14.071 -24.087 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 3.672 4.324 -3.002 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 1.562 -4.303 6.567 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 -4.523 13.447 -19.093 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 -3.444 4.199 -7.180 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 -1.812 6.580 6.745 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 -3.700 13.069 9.879 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 1.282 -9.466 9.408 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 -1.926 3.020 4.396 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 6.598 35.876 3.555 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 14.244 -4.609 5.028 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 -0.798 -3.065 -2.558 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 -7.900 7.952 -10.004 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 -7.213 -3.033 -0.148 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 -4.111 -2.425 -1.423 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 -9.078 10.575 1.146 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 -11.769 23.929 3.057 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 0.914 4.135 1.902 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 10.326 1.366 7.783 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 -15.106 8.827 21.041 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 2.592 -2.552 7.549 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 -9.646 -7.820 -5.876 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 9.941 -9.573 -8.295 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 -2.142 1.731 3.437 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 1.973 -1.044 3.654 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 14.470 -23.036 11.584 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 0.825 5.677 -4.542 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 3.397 1.608 -4.096 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 0.931 -14.706 -23.946 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 5.756 2.113 4.805 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 19.199 -10.933 -7.227 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 7.054 -11.908 7.523 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 3.627 -1.650 4.535 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 -6.816 -17.699 11.169 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 -7.060 24.000 7.638 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 -1.690 -0.602 0.704 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 -20.110 4.351 4.281 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 -1.797 7.637 -5.576 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 2.852 6.350 -4.820 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 -9.644 -1.139 -10.818 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 -3.135 5.569 -11.417 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 1.741 2.861 -4.375 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 24.777 21.074 -13.745 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 14.027 -19.033 8.959 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 2.180 3.034 -0.450 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 5.126 -12.218 -5.896 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 0.524 4.424 4.020 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 6.660 -1.069 -0.594 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 -1.276 -0.901 6.354 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 -43.161 18.160 25.625 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 3.539 7.065 -8.576 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 6.909 -1.221 -3.665 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 6.917 2.624 3.878 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 6.199 2.393 -5.862 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 1.577 0.981 6.610 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 15.957 -1.165 -7.439 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 6.862 5.529 3.530 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 1.490 5.265 -10.020 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 16.079 -9.553 21.597 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 2.861 -4.277 1.351 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 -6.326 -13.105 -6.466 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 -7.768 -13.800 -7.114 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 -0.546 2.238 1.343 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 -9.595 -19.926 8.070 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 -3.917 -12.929 -10.537 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 -0.923 -4.933 -5.489 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 1.494 -1.361 -2.314 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 1.482 -8.184 5.537 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 -7.630 -5.354 0.703 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 -11.810 -37.889 -20.824 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 -1.798 -4.223 -8.223 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 2.897 3.122 -0.957 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 17.968 19.560 -10.416 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 -3.547 11.441 -11.502 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 1.896 -6.686 -4.636 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 7.538 6.181 -0.734 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 24.193 12.612 15.474 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 8.486 -3.257 -6.927 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 0.408 -6.407 -2.001 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 14.446 1.957 1.490 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 0.210 -4.380 3.480 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 1.870 8.602 0.186 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 -0.158 -5.853 1.650 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 2.240 -1.220 -1.437 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 -0.272 5.172 1.615 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 0.436 11.043 11.675 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 -1.921 -4.792 1.045 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 -23.750 -1.553 -5.666 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 7.594 -19.179 -9.183 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 -4.827 -0.896 3.627 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 4.896 11.560 -7.024 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 0.405 15.580 1.401 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 -0.184 -3.034 -4.793 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 4.326 -21.062 -8.594 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 -18.838 10.679 14.497 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 0.166 4.669 2.835 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 -7.015 12.375 -1.963 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 1.831 -9.391 33.171 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 4.546 -0.871 1.727 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 -5.602 -2.124 8.608 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 -2.373 -0.434 -10.215 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 3.676 0.575 4.213 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 -3.501 16.577 10.263 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 1.189 10.459 0.383 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 -3.268 -0.091 3.880 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 1.695 3.003 3.675 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 -9.536 -5.891 -1.297 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 -0.543 1.201 0.947 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 10.763 13.880 -2.323 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 -15.170 13.106 -4.994 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 -1.457 -4.568 -1.569 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 -6.721 -1.084 12.615 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 -2.620 10.658 -30.098 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 3.954 2.250 -4.898 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 13.725 10.489 -18.113 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 2.390 1.418 -3.272 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 0.106 11.715 -2.598 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 21.964 -6.764 2.173 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 10.494 6.572 -3.015 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 1.596 -3.582 -0.293 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 -4.656 0.619 0.582 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 -4.451 8.788 4.504 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 -2.010 -4.716 1.751 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 4.024 15.375 -0.299 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 4.792 -14.480 -12.869 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 5.733 -1.113 -5.792 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 10.291 2.005 -8.214 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 17.031 7.780 -14.109 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 -8.125 4.480 -6.871 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 -8.538 -6.192 -0.903 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 1.603 6.360 4.257 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 -1.435 1.228 4.809 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 -10.720 -1.136 8.974 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 -8.489 5.718 -4.686 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 6.350 -5.718 -2.341 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 30.816 2.776 5.934 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 -10.664 1.841 12.158 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 -3.714 7.037 -1.138 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 2.053 30.145 -17.670 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 -4.702 -4.137 3.067 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 2.439 -3.643 -5.159 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 17.456 19.386 1.081 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 -8.472 -18.264 -18.479 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 -3.757 -0.829 5.468 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 -9.635 3.703 5.526 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 2.384 1.951 0.907 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 3.027 0.982 0.427 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 19.109 8.624 5.624 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 -1.596 -11.361 -4.442 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 -0.506 6.459 1.576 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 -0.538 -8.913 -7.352 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 9.940 8.657 -9.660 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 6.093 -1.713 -1.513 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 24.525 14.673 -12.226 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 19.289 -16.024 16.732 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 5.717 2.225 -2.563 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 0.437 -8.605 3.139 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 6.330 4.005 -7.106 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 0.354 4.435 -6.910 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 -6.862 0.858 -18.235 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 12.469 4.120 -1.355 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 2.062 -5.096 1.238 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 6.336 -13.808 15.539 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 -7.724 7.651 11.137 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 4.322 -0.583 1.107 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 -5.706 -7.978 4.311 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 -1.285 -1.919 0.552 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 -4.535 0.206 -1.533 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 5.025 -1.989 -24.077 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 -11.195 5.858 -2.832 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 -2.948 -0.113 2.365 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 11.178 -4.453 6.640 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 -3.707 8.464 -13.579 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 7.811 3.217 0.366 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 -16.113 8.180 2.714 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 18.111 0.263 -24.998 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 2.764 0.852 -4.470 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 -6.360 -8.046 11.587 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 17.022 -4.419 -18.914 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 1.331 -3.965 0.840 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 0.522 -6.825 13.829 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 2.682 -4.360 -8.710 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 1.992 2.001 5.048 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 0.934 5.158 -5.511 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 2.402 -1.314 17.690 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 4.891 -6.663 -0.572 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 5.153 -9.463 -4.119 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 6.046 -7.666 -3.491 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 -3.402 0.206 -2.189 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 -4.310 -8.104 -12.559 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 -8.233 14.766 -17.673 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 5.429 -1.660 1.877 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 -14.455 -8.097 17.270 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 9.265 10.105 1.043 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 -2.155 -5.202 5.233 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 1.769 -3.796 -4.954 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 -4.738 2.048 15.653 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 2.177 1.725 -0.813 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 4.083 -4.284 -26.282 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 -24.389 -6.957 0.534 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 -2.674 -0.384 4.101 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 -0.998 -17.283 -9.370 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 -2.265 3.681 -11.593 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 3.688 4.432 -5.330 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 -7.550 -11.423 -23.541 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 -5.466 -32.077 -3.926 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 4.336 -1.733 3.365 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 5.069 17.271 17.299 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 6.551 19.322 19.648 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 3.871 0.962 2.251 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 -5.589 -14.217 7.504 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 7.269 -1.123 1.970 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 -1.416 1.800 -0.952 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 -18.091 -6.598 0.953 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 8.243 14.424 12.369 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 -0.522 3.575 -2.011 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 15.922 -2.819 -17.467 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 -19.953 -2.744 -13.075 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 3.191 -2.237 -2.954 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 6.581 34.484 1.398 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 -25.672 1.680 0.675 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 -0.184 -0.102 1.042 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 6.732 -3.919 -10.473 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 2.236 -8.505 8.861 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 -2.770 -0.780 1.092 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 -8.781 2.161 -0.677 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 -3.119 11.710 0.046 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 -0.435 2.414 9.164 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 1.416 -2.660 -3.072 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 -10.728 3.349 13.381 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 -11.338 0.871 0.876 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 25.959 -14.172 3.670 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 -7.255 -3.533 0.749 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 -5.941 3.606 0.196 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 -9.184 -8.576 31.336 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 -3.951 6.528 -15.459 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 -6.904 4.832 1.736 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 -7.627 -1.638 -1.299 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 -3.044 3.792 6.846 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 4.710 -3.903 -8.956 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 -10.475 -14.823 5.045 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 -25.709 2.621 -19.898 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 0.925 -3.138 -0.142 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 3.028 -5.824 27.445 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 -10.985 11.242 2.307 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 2.128 -0.643 1.495 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 9.533 15.283 -20.215 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 9.498 -24.013 25.574 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 -1.459 -1.073 11.003 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 12.555 -0.478 12.402 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 4.991 7.789 -1.622 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 1.775 2.726 -1.989 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 -10.171 -5.515 -2.789 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 -9.517 -1.926 0.906 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 5.620 1.719 -2.710 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 -17.942 -3.398 -4.990 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 -6.391 -0.982 4.292 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 -3.194 -2.764 4.693 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 1.246 0.478 -14.065 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 1.616 -14.229 -13.298 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 -4.382 -2.551 -1.501 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 -11.150 -5.165 -2.349 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 -9.211 1.826 -3.501 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 -0.660 -7.436 -2.364 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 0.175 -8.170 -1.959 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 -8.796 -3.041 -4.403 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 -2.309 3.516 -2.753 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 -6.482 1.315 -2.490 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 3.061 6.107 -1.413 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 6.160 -9.459 3.134 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 14.436 -11.097 27.672 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 6.304 -9.542 4.123 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 0.719 -2.983 2.832 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 0.183 -21.662 10.463 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 12.997 4.976 -11.275 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 2.576 -0.585 5.064 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 1.457 -2.280 7.275 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 7.105 11.084 -2.459 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 1.785 -3.475 -8.026 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 15.440 2.574 22.629 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 12.177 -7.354 -8.479 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 -2.425 -4.955 -2.624 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 -3.635 -11.260 -8.908 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 -6.755 0.898 4.674 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 -0.056 8.774 6.075 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 -16.585 6.142 -3.218 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 6.099 3.433 -8.318 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 -5.467 -3.562 0.483 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 -11.746 18.644 12.183 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 -4.215 4.891 8.381 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 -1.849 -1.104 5.354 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 -3.319 0.273 7.066 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 -4.300 2.302 5.442 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 1.237 3.353 3.168 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 -7.225 1.800 11.460 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 -5.089 3.762 -6.192 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 -0.620 3.144 4.657 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 -5.608 -1.608 14.794 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 10.143 0.308 -8.964 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 11.081 1.444 -3.453 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 -2.466 -32.792 -8.638 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 -39.503 25.601 -22.168 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 -4.314 1.848 -6.542 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 -3.961 5.359 -8.513 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 -4.216 8.619 -9.424 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 1.801 -2.674 6.491 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 5.380 5.522 5.982 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 -2.395 -15.115 4.750 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 3.863 -1.737 -4.440 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 -1.153 -13.187 -2.113 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 17.943 0.678 18.706 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 -1.342 6.376 3.075 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 14.266 21.533 0.750 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 -1.256 12.415 5.358 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 2.237 -2.089 4.408 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 0.213 -7.274 5.697 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 7.071 1.643 -2.946 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 4.515 -1.093 0.926 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 -0.755 4.963 8.829 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 12.960 4.673 -4.714 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 -2.630 6.883 8.142 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 18.068 -4.093 -12.595 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 -16.437 7.822 -6.754 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 3.957 -0.950 3.018 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 23.742 20.700 19.755 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 5.913 -3.109 6.523 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 0.348 -2.012 1.204 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 -35.571 9.463 -8.314 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 4.626 -1.655 5.491 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 -3.112 3.161 -0.856 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 -18.042 8.127 -23.646 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 -2.080 11.538 2.634 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 4.914 0.300 3.849 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 8.000 0.602 -0.074 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 6.038 0.958 0.081 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 0.148 -1.466 -3.018 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 -8.655 -1.444 8.688 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 -0.347 -20.414 -14.673 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 -1.711 3.849 4.129 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 -19.025 37.208 8.290 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 6.142 23.590 -19.948 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 1.367 -3.532 -0.668 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 5.448 -26.920 -15.361 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 -0.972 -23.134 -17.123 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 4.128 -1.237 -1.851 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 19.667 2.479 -6.205 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 -5.571 -16.853 0.506 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 -1.757 -5.041 0.833 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 -17.859 3.616 24.205 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 -15.325 -7.846 -22.948 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 0.507 5.436 0.953 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 -2.499 18.026 -10.103 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 5.244 -0.755 5.238 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 9.745 3.115 0.618 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 16.712 18.023 -5.053 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 3.183 -7.705 -1.219 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 0.084 0.631 4.703 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 -8.158 6.870 -22.135 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 -6.039 -13.193 -21.107 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 -3.248 -10.020 1.152 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 3.221 -21.036 22.606 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 -17.563 -8.276 -5.246 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 -4.392 -1.611 0.990 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 -7.975 -19.977 -7.796 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 -12.651 -9.042 -9.121 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 6.885 -6.252 2.158 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 -6.599 -6.922 13.671 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 14.128 -3.059 5.807 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 -1.638 -4.084 -4.353 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 -3.055 28.958 -13.532 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 0.857 -4.577 -1.867 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 5.074 1.193 1.426 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 -4.705 -15.811 18.104 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 12.058 10.440 13.260 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 3.114 1.755 1.010 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 8.641 19.684 -1.007 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 15.215 -5.573 14.322 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 0.168 0.417 1.475 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 -22.862 8.461 12.155 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 -10.997 -3.899 -0.913 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 -2.552 4.726 -1.196 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 -1.637 14.016 2.009 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 -3.462 -4.850 -0.946 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 -0.580 -2.126 -1.987 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 10.019 14.790 -19.649 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 -31.386 -16.130 -4.776 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 -4.471 1.601 9.018 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 -9.250 23.246 26.365 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 12.616 13.694 8.569 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 -2.692 -1.592 -3.785 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 -3.600 9.436 1.760 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 -31.144 -18.936 -16.253 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 1.031 0.351 1.841 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 -6.744 40.312 6.475 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 2.329 -3.324 1.876 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 -4.974 8.373 7.273 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 -11.059 -3.638 21.613 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 -1.497 23.261 -10.072 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 -4.337 -3.175 -1.511 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 1.012 -11.269 -13.091 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 -7.480 7.257 -7.899 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 4.542 5.328 -0.227 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 -0.451 -15.295 -2.361 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 5.464 -1.124 7.798 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 0.723 0.063 -0.369 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 23.316 -1.346 43.625 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 -5.550 14.373 -19.740 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 0.169 -2.174 1.539 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 -15.774 -3.658 4.036 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 3.033 14.847 1.014 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 -7.658 3.841 -2.663 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 6.765 10.159 -6.964 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 -13.519 2.700 18.945 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 -5.584 6.128 -10.370 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 -23.517 14.564 5.980 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 28.019 24.919 -14.591 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 1.664 4.740 -1.829 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 4.613 8.687 5.519 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 0.816 6.390 -1.919 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 -3.806 -6.324 0.843 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 -7.017 -7.171 -6.535 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 3.820 1.710 -5.309 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 -1.548 3.978 1.915 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 -17.296 5.461 4.757 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 -1.215 -9.744 -6.820 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 3.571 -1.241 6.207 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 -4.928 -6.036 11.271 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 8.454 -2.669 6.828 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 -4.258 -6.000 5.513 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 15.084 -5.509 21.572 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 -2.090 -2.906 10.583 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 3.817 -0.853 3.560 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 -10.157 3.994 -2.868 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 -7.404 11.060 -8.541 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 -3.084 -4.762 4.162 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 -0.343 2.770 -1.905 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 -12.306 -10.661 -1.238 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 1.314 1.378 1.691 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 4.896 25.705 3.395 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 -18.740 -2.296 15.139 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 2.802 0.041 -1.287 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 -5.546 -8.170 -1.901 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 -4.014 -13.361 13.167 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 5.306 -2.527 1.404 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 2.446 16.756 7.460 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 -7.022 10.665 15.684 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 -2.901 0.421 8.213 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 14.694 18.851 0.736 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 -0.751 -4.271 15.069 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 1.531 5.036 -3.283 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 15.427 3.980 -1.804 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 6.861 12.847 7.342 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 2.692 -5.446 4.261 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 4.361 5.214 7.691 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 4.979 -3.359 1.647 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 -5.375 -1.777 -2.979 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 -15.157 -7.050 3.375 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 -0.759 -13.590 -11.426 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 8.450 -4.394 -4.743 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 -1.796 2.766 -5.331 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 10.409 11.480 -7.483 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 -1.168 0.314 4.877 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 7.286 3.494 -6.750 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 23.369 -14.669 22.876 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 3.672 5.080 0.027 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 11.070 -12.726 -2.837 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 24.334 3.213 -1.176 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 -3.804 1.585 0.112 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 -6.397 11.980 -12.034 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 -4.520 -4.453 5.149 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 10.967 -4.017 -3.496 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 9.849 7.011 -16.132 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 -5.410 -5.152 8.805 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 -4.801 -0.417 6.874 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 -17.431 -1.690 -4.871 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 4.958 -11.208 1.439 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 5.017 2.110 -10.340 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 -3.322 -26.577 -20.660 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 11.943 6.943 -7.802 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 -1.523 -4.644 0.904 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 15.333 2.194 -14.225 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 -8.021 -2.641 -3.237 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 -1.527 0.302 -0.799 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 -16.618 -23.883 3.353 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 20.044 -3.979 -16.942 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 -1.853 3.859 0.673 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 -3.652 7.275 1.104 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 12.391 23.409 13.661 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 3.070 -1.442 4.577 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 8.387 -4.267 -5.285 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 6.065 -7.329 0.135 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 -0.182 2.536 1.840 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 -11.494 11.352 12.944 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 10.602 -6.920 -7.532 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 0.648 -0.261 -5.271 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 -3.871 24.312 9.269 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 -22.639 -20.324 0.665 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 -0.875 2.152 -0.451 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 -1.188 1.419 3.525 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 0.199 5.070 -4.294 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 0.478 3.035 -4.648 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 -9.147 26.244 -4.393 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 11.183 8.750 14.830 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 2.037 -9.658 1.215 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 0.494 -0.156 2.712 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 11.827 -10.590 0.405 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 -3.441 -12.100 -4.566 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 -14.139 4.190 -31.572 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 -18.810 6.640 12.643 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 -1.597 4.564 -3.484 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 -6.413 9.934 33.240 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 25.838 -8.696 -1.064 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 -1.564 -3.394 3.054 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 -3.267 -2.277 -3.188 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 0.181 -1.944 -1.327 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 1.228 1.103 2.995 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 1.974 2.515 -8.717 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 -12.444 7.145 10.645 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 -5.063 2.695 -2.915 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 -3.986 -4.413 2.677 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 -4.792 -5.387 14.523 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 1.879 -5.755 -5.053 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 0.529 0.542 -9.964 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 16.194 14.800 8.717 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 -7.723 6.638 -9.366 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 1.881 11.937 -17.048 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 -13.914 10.590 -11.518 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 2.543 5.744 -3.373 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 4.305 0.199 9.433 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 -27.249 -1.105 -19.419 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 -5.712 0.337 4.831 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 -10.906 38.152 10.438 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 38.767 11.998 -0.774 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 5.776 -0.734 -2.860 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 7.741 4.440 10.923 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 -4.468 1.255 11.367 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 6.580 0.490 -3.427 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 -11.876 5.419 -7.422 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 5.284 -7.215 2.232 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 7.385 -1.967 2.604 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 11.600 0.652 3.142 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 9.140 -6.702 1.140 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 2.254 -4.642 2.404 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 -39.377 15.531 3.692 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 -8.178 4.725 4.886 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 -8.894 5.887 5.543 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 -32.713 17.105 13.972 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 -9.945 26.512 12.771 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 -8.097 -0.143 2.506 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 -10.843 10.451 3.470 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 5.666 1.872 4.743 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 -5.561 4.178 3.115 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 -0.637 36.111 25.327 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 -16.000 -0.901 -10.526 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 1.737 1.391 -1.745 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 -4.608 7.559 -17.603 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 3.012 -16.512 4.289 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 -2.330 -0.928 1.544 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 16.454 17.371 -6.472 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 -25.009 -13.545 5.241 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 1.892 -0.163 4.312 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 6.866 -22.539 4.357 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 -7.255 17.021 -7.260 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 -6.950 -2.794 1.863 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 10.624 -2.397 10.447 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 13.629 -2.357 19.063 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 1.410 -1.193 -0.484 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 -11.726 -6.588 -17.585 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 -5.465 -4.155 22.002 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 -1.546 -1.928 4.968 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 -7.991 -6.285 4.162 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 -8.446 -10.943 0.561 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 -2.020 3.574 -4.728 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 -6.397 -15.796 3.134 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 18.470 0.894 -14.662 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 8.035 9.742 6.353 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 14.842 -11.030 -9.725 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 3.504 3.169 10.249 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 -7.454 -6.361 4.562 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 -12.385 -21.295 11.970 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 -21.078 4.640 10.141 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 -6.239 -0.449 -1.946 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 -3.548 -4.727 1.079 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 -5.717 1.335 -7.538 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 2.386 1.552 -0.498 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 -25.537 -7.017 -12.847 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 12.900 27.431 3.927 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 0.615 11.008 -0.919 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 4.613 -30.603 -1.162 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 -15.900 -0.037 9.255 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 3.695 1.690 0.957 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 -4.518 12.299 -0.538 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 -0.044 1.971 14.059 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 -2.786 4.670 0.956 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 -2.845 10.834 31.369 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 -50.278 11.947 14.165 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 -5.373 -1.164 5.173 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 3.091 4.285 23.160 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 -30.728 -19.965 -35.550 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 -0.930 -2.079 3.418 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 7.205 7.394 14.209 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 16.307 15.178 14.611 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 5.429 -6.632 -3.575 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 0.818 5.569 -1.369 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 -6.018 -8.142 2.083 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 -1.416 0.018 3.462 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 6.196 -1.122 -9.432 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 22.637 -4.032 -3.996 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 7.653 0.550 -9.233 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 6.661 -18.699 -6.396 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 2.399 3.594 -12.736 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 1.423 -1.243 -0.879 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 -7.920 17.292 10.049 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 15.933 -8.603 7.009 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 -1.789 -0.235 7.226 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 1.475 9.327 23.417 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 6.631 0.869 -13.232 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 3.278 -0.138 5.885 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 -3.486 2.627 -2.926 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 3.322 -5.992 6.996 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 -3.158 -1.617 0.905 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 -1.888 -6.368 3.860 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 3.088 -14.158 14.098 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 -5.507 0.289 10.826 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 -3.223 12.693 30.324 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 -24.066 18.790 -7.597 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 -2.202 -1.290 -1.764 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 -11.313 -5.118 3.213 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 0.419 -4.236 5.522 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 -5.934 1.576 -2.650 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 -7.598 -0.822 3.204 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 -13.912 -3.801 11.064 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 1.854 -7.694 1.201 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 -12.262 -7.592 -10.448 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 3.853 -0.363 -0.124 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 -6.529 0.705 -0.072 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 -7.571 -0.376 2.163 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 -12.095 8.233 34.329 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 1.863 0.428 5.595 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 -9.593 -11.720 -41.194 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 7.057 17.588 -9.183 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 -7.757 2.077 2.047 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 -0.122 3.327 -8.882 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 -7.724 -16.292 3.528 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 -1.977 -2.759 0.636 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 8.274 -18.407 2.620 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 -16.100 -4.778 15.815 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 7.205 1.038 3.713 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 5.672 -3.199 11.171 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 10.109 8.964 4.810 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 5.911 -0.708 -3.969 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 -5.504 10.282 -6.497 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 22.690 -15.410 19.301 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 3.224 -3.772 -0.688 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 0.833 -3.491 -4.595 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 0.556 -7.928 1.813 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 4.799 -4.226 2.122 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 8.549 3.010 -9.947 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 0.949 -18.294 13.111 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 2.017 1.456 6.128 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 24.530 2.130 4.584 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 9.564 1.497 3.534 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 -0.550 -0.773 0.756 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 -7.379 -6.037 -1.133 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 4.524 2.461 1.081 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 -0.400 0.120 -3.224 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 9.491 0.587 -9.830 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 -9.459 -1.806 3.345 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 -0.402 -2.568 -3.319 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 22.739 -17.372 8.793 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 -13.382 -1.891 17.145 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 6.680 1.037 4.905 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 5.298 -6.641 -1.746 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 2.734 7.035 0.170 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 -1.266 -2.554 -3.211 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 -18.775 23.044 33.727 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 13.398 -4.548 -7.923 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 -4.833 -0.653 -4.317 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 -2.217 -4.119 1.556 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 -5.003 4.627 -8.821 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 3.746 -3.039 -0.423 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 18.827 -18.832 -17.786 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 -1.045 0.924 -8.145 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 -3.654 -4.658 -0.642 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 5.386 7.996 -1.878 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 18.698 9.936 4.902 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 -1.666 -1.301 0.675 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 -8.514 6.114 6.747 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 2.034 -4.380 -1.694 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 -1.316 -4.165 0.364 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 -7.413 -2.173 -3.989 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 -3.713 -1.963 7.081 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 2.691 2.996 -5.493 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 19.821 -3.872 -5.002 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 2.639 -13.546 21.900 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 1.796 1.379 6.504 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 -8.511 -8.763 -2.760 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 -16.884 22.552 -2.987 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 1.743 -3.876 2.219 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 7.018 -11.834 -1.630 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 3.504 -6.712 0.674 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 -4.263 -1.759 4.168 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 5.363 -3.339 9.350 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 -8.123 5.895 1.077 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 -5.479 0.904 -2.324 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 -29.349 -0.700 -13.763 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 -15.409 -11.025 20.000 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 1.819 -4.150 -1.883 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 9.081 -8.348 -4.076 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 -0.072 -5.895 -0.056 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 -4.479 8.463 0.057 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 4.009 -5.264 0.879 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 8.795 -4.943 2.613 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 0.060 5.707 2.018 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 -9.880 2.632 -13.343 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 -0.838 -5.483 -24.653 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 -0.768 -2.099 -3.371 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 7.289 -3.268 -8.777 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 -9.311 -17.672 -1.107 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 -0.664 0.827 -6.640 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 13.052 0.098 -14.569 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 -8.083 8.953 5.925 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 -4.135 1.117 4.066 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 -18.768 -20.024 -9.383 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 -7.532 -21.640 -12.460 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 2.988 4.523 -6.559 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 -10.773 4.774 -1.628 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 15.502 11.972 0.815 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 7.889 3.744 -1.216 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 1.120 0.424 8.452 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 12.091 18.443 -3.248 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 -3.533 3.326 -2.304 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 0.110 -7.886 -3.440 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 -3.989 17.205 -11.543 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 -7.906 2.423 -0.698 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 2.124 1.433 8.945 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 -8.827 13.581 0.897 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 1.331 3.093 -1.747 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 12.513 15.102 -27.273 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 3.928 -5.083 -8.583 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 -0.644 -8.138 0.643 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 -7.174 -5.890 29.786 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 4.038 18.550 -40.934 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 -0.500 -0.399 -0.890 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 -11.451 10.966 -26.784 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 -6.800 0.354 2.169 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 -1.808 -5.079 -0.512 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 -6.636 14.768 2.697 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 -10.226 8.481 6.858 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 -0.507 0.130 2.808 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 -6.152 -12.890 -10.022 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 7.241 6.204 2.650 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 -10.362 -0.876 -4.275 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 -9.346 -6.547 -5.629 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 1.296 7.723 11.987 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 0.639 -1.233 -1.462 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 -1.210 -8.310 10.114 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 -1.233 1.573 -8.204 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 5.559 0.724 -5.153 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 -6.160 -2.908 -5.356 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 11.778 -3.335 4.086 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 4.971 -2.705 7.768 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 -21.898 -17.629 16.179 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 -6.679 -13.497 23.743 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 -4.858 -3.206 -1.887 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 -8.783 0.329 20.295 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 6.517 0.481 24.138 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 -3.114 10.594 -0.569 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 2.696 5.017 4.215 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 0.236 4.523 -6.857 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 1.955 4.538 -4.660 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 -2.565 1.053 4.105 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 -18.766 1.287 -2.630 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 0.097 -3.965 1.993 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 3.008 14.103 1.931 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 7.214 -17.513 -17.553 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 3.754 2.643 -0.542 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 -2.747 -12.066 -4.917 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 -3.645 -0.989 -14.076 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 0.035 0.385 8.179 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 -15.027 12.934 -13.707 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 6.032 13.408 11.753 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 -0.667 4.699 3.715 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 3.703 -1.725 -3.303 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 6.366 9.857 8.323 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 -5.280 4.655 -4.321 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 -3.080 6.010 0.158 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 -7.523 -0.626 -5.350 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 -5.697 -2.661 -1.816 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 -20.157 -12.228 2.608 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 31.496 5.684 8.043 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 -0.623 1.960 -6.961 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 1.706 7.749 -3.954 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 25.283 -0.713 -7.955 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 -1.882 3.696 0.520 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 4.040 -12.227 0.901 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 -12.888 2.891 4.530 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 1.580 -1.809 -8.213 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 -4.007 -3.474 -14.050 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 2.881 -1.827 -8.645 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 -1.621 6.246 2.958 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 -0.183 16.404 1.913 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 -6.200 -4.848 9.413 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 3.919 -0.657 -4.277 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 -1.325 3.005 1.109 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 9.604 -4.261 -14.561 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 7.849 -5.249 -0.847 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 5.743 -17.533 -20.779 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 22.583 -17.315 11.938 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 -1.525 1.098 1.595 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 -3.867 16.325 15.554 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 14.855 -11.493 11.346 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 4.835 3.433 1.282 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 4.573 -2.718 20.295 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 20.760 22.115 11.979 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 -1.889 4.345 -3.271 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 15.526 1.761 2.258 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 16.394 -5.447 13.418 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 2.186 -1.243 -3.646 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 -12.705 7.017 9.994 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 -1.279 3.226 -13.176 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 0.066 8.497 -0.037 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 8.504 -12.008 8.288 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 6.470 8.286 -8.290 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 2.915 1.977 -5.085 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 -19.288 -10.421 0.137 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 -4.084 -4.436 -4.875 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 4.934 -0.231 0.004 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 -3.467 3.137 0.690 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 14.712 -9.737 2.127 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 1.726 0.600 -2.907 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 0.249 23.007 20.285 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 -17.050 -3.474 -21.656 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 -2.523 2.906 0.381 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 -12.027 11.356 15.882 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 22.912 17.385 4.447 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 -3.193 -4.440 6.529 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 -16.874 -8.328 16.204 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 -35.142 4.063 -6.264 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 3.556 2.770 -6.770 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 12.157 -1.987 4.810 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 11.005 -4.810 4.313 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 1.883 -1.111 5.190 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 -5.173 -4.935 -12.340 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 -15.618 3.493 -3.309 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 -1.592 0.244 -7.086 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 8.167 18.014 -2.182 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 -8.564 -14.743 -16.981 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 5.811 2.742 6.169 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 2.997 8.586 8.050 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 -8.157 -3.540 1.997 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 -0.274 -10.097 -4.569 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 6.779 1.965 -5.138 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 6.590 -4.205 -0.004 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 2.674 -0.673 -2.151 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 9.220 -5.238 -2.260 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 -25.068 -1.821 -1.783 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 4.970 0.718 -5.496 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 4.544 3.302 3.885 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 4.909 -12.082 0.185 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 -2.264 0.332 0.109 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 26.856 -6.081 -8.987 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 -9.046 2.539 -9.279 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 4.403 -6.196 4.005 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 10.138 6.280 -4.266 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 -0.118 -18.282 -7.192 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 1.135 -0.534 -8.092 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 0.417 9.667 5.602 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 4.150 -10.511 -3.173 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 -1.602 0.965 3.429 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 12.151 -11.478 8.107 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 -2.601 14.954 1.457 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 0.919 3.259 -7.425 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 15.874 -6.061 5.368 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 -0.345 -1.377 -15.700 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 2.063 9.857 -3.666 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 -21.615 9.540 -6.538 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 2.810 18.760 7.059 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 1.410 -2.536 -3.215 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 26.564 -20.803 -10.788 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 0.585 -17.923 12.891 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 9.152 -4.098 1.954 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 -3.089 -16.127 -19.187 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 -11.589 -5.758 19.580 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 8.152 -0.712 5.152 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 15.813 -3.106 5.673 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 -24.040 -11.550 -7.531 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 0.406 -4.975 -1.994 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 -5.164 -9.792 -9.681 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 7.665 -4.803 3.208 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 0.742 1.908 -5.428 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 -23.364 3.336 -13.164 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 -3.087 5.139 -18.943 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 -0.806 -3.593 -0.109 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 -8.153 7.218 -13.378 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 17.224 -18.677 22.355 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 4.889 3.555 1.734 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 -7.239 9.669 -14.621 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 14.665 15.891 16.668 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 6.107 -3.668 3.182 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 17.134 2.240 9.474 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 0.073 8.070 -1.002 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 4.089 5.962 -2.481 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 -2.923 17.986 26.043 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 -24.309 1.384 -17.962 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 -3.007 0.852 -4.335 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 -0.920 11.361 2.540 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 3.074 9.335 -28.526 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 5.918 7.771 4.944 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 5.521 -11.072 -0.720 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 6.109 14.621 -10.536 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 -7.521 -1.262 1.853 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 -22.429 10.050 0.996 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 20.857 -22.841 3.691 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 -0.081 1.274 -9.049 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 9.300 9.136 -6.106 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 18.741 -22.539 5.921 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 -7.730 2.546 -1.324 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 -5.311 -19.431 12.570 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 -4.076 -18.485 5.910 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 3.070 2.504 1.498 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 -6.100 -43.468 5.029 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 -1.076 -2.981 3.337 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 -1.902 -3.637 -3.710 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 10.291 -4.862 -17.857 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 -8.074 11.426 -7.333 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 3.986 5.389 -2.918 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 -10.904 0.532 -6.316 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 13.568 -2.081 -16.196 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 -0.661 -0.409 1.524 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 -3.287 3.408 3.451 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 5.241 16.712 9.997 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 -1.067 -0.356 -2.140 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 -4.623 5.350 8.260 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 3.308 -2.967 -6.037 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 -0.644 3.211 0.482 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 -21.899 -15.931 -2.859 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 -16.219 9.297 2.009 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 2.819 2.532 -1.400 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 8.641 26.657 27.571 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 -25.727 -5.092 -26.443 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 -0.123 4.877 3.807 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 -26.276 19.346 8.799 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 1.391 9.757 6.308 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 -6.373 5.192 4.627 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 -9.361 7.154 -0.426 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 -7.811 -12.397 10.401 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 -0.395 5.525 1.536 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 0.429 10.672 -3.208 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 -3.113 4.737 9.965 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 -8.598 -8.765 0.427 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 -0.067 5.321 5.615 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 -1.260 23.320 -2.981 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 2.950 -4.947 -3.831 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 3.732 -6.404 2.249 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 -13.729 4.043 10.534 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 7.797 -6.190 7.579 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 1.040 0.050 17.472 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 -8.890 10.552 30.665 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 2.452 -4.084 0.385 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 7.344 0.299 0.419 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 -13.442 -4.268 -0.950 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 0.931 3.838 1.267 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 -2.541 -6.185 -2.516 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 -1.811 16.503 3.159 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 3.346 -2.847 -1.279 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 3.179 -5.994 22.802 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 3.919 23.839 -16.321 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 1.575 -1.820 5.286 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 15.825 -17.914 -7.586 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 -2.792 17.298 -10.318 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 -1.763 0.874 -1.504 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 -10.481 6.137 -4.051 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 6.333 4.132 -7.117 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 -0.227 2.324 6.949 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 27.007 3.868 10.810 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 9.683 8.590 2.703 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 0.960 2.461 0.452 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 4.194 8.438 -2.083 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 -4.376 3.495 7.314 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 -5.533 -2.100 8.176 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 -24.264 14.421 -18.657 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 -6.753 -0.955 4.293 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 -0.371 8.543 -2.077 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 5.739 -16.707 2.276 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 14.905 -0.338 -14.928 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 0.867 -4.095 -4.898 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 4.300 -16.195 -9.191 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 -1.712 6.940 2.631 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 -1.368 -1.404 5.312 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 9.307 10.707 14.847 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 0.501 6.175 4.766 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 -2.238 -3.687 2.220 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 -17.375 -1.983 0.966 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 6.048 -2.528 4.900 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 -0.866 2.162 6.418 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 0.448 -4.735 8.809 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 -14.595 -25.118 -13.283 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 -0.158 -0.111 0.004 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 6.425 -4.313 6.775 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 1.134 23.234 10.852 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 5.770 -5.303 2.740 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 23.550 7.852 0.379 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 -12.783 -24.967 -1.063 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 4.238 1.640 0.927 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 -24.332 31.143 13.280 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 -18.601 -31.860 -7.395 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 -1.032 -7.716 -2.721 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 -5.580 -11.073 -8.103 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 19.509 3.659 32.037 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 13.736 1.192 -4.126 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 10.085 -6.319 -4.085 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 26.507 -6.987 4.895 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 -8.488 2.547 -0.759 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 -9.989 11.425 -9.310 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 -1.663 0.218 -21.450 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 -0.894 -2.144 -1.226 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 6.430 -4.115 -2.674 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 18.921 1.300 -17.465 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 -0.696 5.806 6.107 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 2.447 -1.119 1.093 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 -9.260 26.111 19.227 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 -1.423 5.400 0.936 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 -8.561 19.823 0.649 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 8.960 9.647 -6.773 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 10.474 -1.967 0.367 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 -1.166 -9.704 -1.965 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 13.765 -0.616 -1.901 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 0.633 -2.645 -1.104 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 19.149 -1.454 -10.455 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 15.880 -0.381 -6.003 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 -4.321 1.368 -6.033 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 -3.778 20.693 -24.228 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 10.860 -6.309 -22.284 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 -4.350 3.045 -1.281 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 -7.941 6.432 -2.037 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 -9.847 13.434 -17.675 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 0.825 8.184 -0.210 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 -8.255 -7.008 -7.229 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 -1.770 17.534 25.017 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 7.628 -3.592 1.004 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 14.201 -17.257 -2.959 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 -8.413 20.282 -5.678 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 -4.225 -5.069 -6.357 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 -7.001 -2.300 11.468 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 15.258 -14.875 -37.357 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 -1.881 -0.691 -2.560 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 11.052 -20.605 -19.326 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 0.351 8.086 -11.428 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 5.898 2.632 -3.080 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 5.435 0.637 -0.211 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 6.166 -5.198 -8.648 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 -1.414 1.821 -0.238 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 7.922 7.347 -7.095 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 1.814 -5.513 9.117 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 -0.870 -4.785 -2.037 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 9.794 -2.689 -8.506 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 25.216 1.235 -2.369 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 -8.968 -0.962 1.833 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 -33.298 25.594 7.509 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 -26.674 -3.712 -5.261 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 -1.132 4.720 -8.301 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 -16.849 6.538 -24.235 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 -6.059 -14.155 1.191 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 -4.559 -1.493 -1.231 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 -12.201 17.056 13.172 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 -12.349 -14.204 1.468 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 11.452 6.599 -0.874 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 -10.754 -2.020 23.872 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 6.411 3.416 9.070 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 6.276 -1.944 -0.495 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 2.466 1.439 -18.809 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 30.541 10.777 -12.199 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 5.806 -3.052 -1.260 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 3.213 2.532 -3.126 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 17.076 -21.772 3.734 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 -3.599 7.008 -4.679 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 -1.614 -4.448 4.276 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 9.550 1.783 19.748 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 -1.701 -7.299 7.456 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 -11.324 -31.833 -26.592 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 -3.181 7.155 -0.670 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 5.933 -1.106 -7.744 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 15.921 3.289 -17.639 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 -5.501 -0.989 -2.170 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 -5.290 -0.547 2.688 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 -18.435 -1.700 0.387 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 -45.272 -5.949 -3.830 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 -9.478 -4.193 3.379 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 -8.447 18.276 4.635 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 -10.083 -3.782 27.292 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 -3.529 -0.313 0.102 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 -3.063 9.310 -4.754 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 -35.550 -2.349 -19.172 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 1.829 -1.774 -2.634 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 -0.337 -21.869 27.050 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 15.858 -6.078 -12.144 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 5.248 -0.296 -1.633 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 0.341 -0.610 -2.647 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 -11.390 -9.721 -4.240 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 -0.123 0.361 -6.615 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 -2.474 -10.273 -14.060 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 11.821 -21.655 -19.966 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 1.945 -2.010 5.436 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 13.205 2.541 3.637 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 6.536 -0.691 -0.501 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 2.949 -0.380 4.172 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 -6.762 -1.079 24.095 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 -31.461 -12.544 -0.403 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 -2.231 2.603 -0.659 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 5.253 11.260 -2.613 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 1.438 12.425 8.183 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 -2.936 -0.294 2.290 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 19.518 -4.711 2.999 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 -16.390 17.657 11.226 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 -2.136 0.215 1.633 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 17.442 0.940 4.182 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 -22.272 -5.229 -25.464 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 1.954 -0.243 8.588 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 33.849 -7.892 14.040 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 36.177 -9.957 16.708 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 5.022 -2.623 -3.205 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 7.488 -0.946 -3.483 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 7.743 -5.720 2.230 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 1.243 4.621 -2.442 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 7.850 -0.286 1.763 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 2.009 7.571 -9.939 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 7.723 -2.704 5.770 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 -24.073 28.066 -3.373 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 24.199 -16.118 9.578 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 -7.912 -3.298 -3.542 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 10.292 -27.616 -9.260 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 -2.986 -31.871 11.128 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 -5.448 2.006 2.159 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 7.643 13.648 -3.727 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 21.904 8.497 -7.587 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 -3.737 -7.089 2.446 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 -15.046 -11.179 -1.879 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 -15.071 -8.905 2.071 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 -2.046 3.246 -2.854 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 -10.021 17.086 -3.463 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 1.597 -8.226 4.051 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 -6.151 -7.127 5.897 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 -15.218 9.375 -4.245 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 -24.478 -10.917 -24.641 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 -0.163 2.523 4.795 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 -0.309 3.293 6.222 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 2.414 1.099 3.947 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 -4.898 -3.702 -0.226 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 3.088 -2.830 -6.140 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 21.180 11.640 -3.863 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 3.126 0.273 1.900 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 15.783 -10.526 -21.877 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 -8.011 11.023 6.825 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 -4.831 -0.502 2.913 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 -6.156 14.524 15.491 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 -23.201 3.162 2.949 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 -8.261 7.052 -4.398 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 -5.812 -14.574 -35.577 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 -24.921 -5.735 1.324 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 5.515 1.133 1.073 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 -14.636 -13.840 1.813 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 21.795 -3.416 -15.261 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 -8.766 -1.051 -1.908 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 10.055 3.446 9.067 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 -4.875 -1.720 11.854 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 5.988 3.531 -5.131 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 -19.008 7.758 6.564 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 4.949 16.118 -28.741 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 -4.044 3.584 8.507 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 -6.892 7.477 -4.280 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 -7.941 4.625 14.671 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 -4.364 1.450 4.377 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 -0.973 12.955 -1.637 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 5.501 -0.736 16.886 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 -1.366 -0.771 -4.632 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 -22.495 0.931 2.360 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 -5.953 -18.913 -10.151 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 -9.316 -0.042 -0.099 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 -17.136 -8.272 -5.618 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 -2.527 8.199 -8.358 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 -12.584 0.737 4.548 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 -1.798 1.487 5.228 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 -9.263 1.676 -2.181 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 1.385 2.369 -1.177 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 3.543 1.582 -7.526 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 -3.396 2.141 7.313 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 -1.287 5.161 4.061 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 -24.551 -6.205 -7.529 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 -11.418 -13.287 -1.874 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 -2.193 4.729 -6.372 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 -15.982 10.513 3.450 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 1.927 -14.473 -36.046 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 0.812 -7.836 0.378 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 -2.768 -6.002 -0.996 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 7.165 -24.976 4.863 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 -2.110 -0.915 -2.770 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 2.491 -6.976 -1.519 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 -7.721 -0.701 0.712 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 -7.075 -1.480 0.799 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 -14.698 -0.364 5.378 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 -5.384 7.554 -2.399 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 -4.192 0.874 5.291 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 -1.624 9.253 6.847 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 -10.218 7.937 15.738 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 -1.864 -0.888 -5.071 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 3.727 5.709 10.168 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 -19.620 2.214 1.147 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 -8.267 4.287 3.114 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 -15.968 -9.090 10.995 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 -16.279 -6.532 2.829 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 3.868 3.684 -10.167 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 12.128 -4.244 -7.926 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 6.133 2.864 -8.657 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 8.477 -1.859 4.883 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 14.867 -22.274 4.722 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 2.200 1.525 2.475 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 -1.817 2.049 2.907 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 -20.017 7.907 8.247 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 -3.770 6.188 -7.576 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 3.568 2.398 -1.677 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 -7.185 2.018 -3.795 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 2.794 -2.799 -1.538 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 -5.270 4.456 -1.536 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 11.336 13.625 18.391 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 -11.570 -18.198 -29.188 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 2.029 3.124 -2.823 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 6.182 -0.373 -12.557 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 3.837 9.751 -7.376 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 -5.312 -0.837 2.242 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 -9.426 -6.191 2.258 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 -7.728 5.906 33.946 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 -3.271 -0.789 -0.351 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 -2.008 -0.167 -6.844 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 -3.026 -6.724 4.242 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 -4.389 0.290 0.957 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 -3.689 -2.752 -7.941 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 -0.076 -6.221 4.257 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 0.725 -2.097 0.133 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 44.191 -14.328 20.592 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 -0.563 -2.189 -3.169 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 -2.823 -2.516 0.280 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 21.883 -15.873 -9.746 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 -31.677 6.130 13.873 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 0.171 1.374 -3.552 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 -0.043 1.512 -1.899 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 -5.521 14.404 -23.225 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 -4.572 0.762 -1.504 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 -12.790 8.042 23.654 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 5.648 26.633 -7.840 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 -0.365 -1.322 -4.171 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 -0.569 0.129 -8.340 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 -3.204 -7.191 0.563 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 2.678 -1.071 -10.100 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 -9.090 -6.467 10.326 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 -26.485 11.856 5.105 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 -2.881 -4.622 -4.104 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 3.722 16.046 -19.179 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 -2.731 10.196 -7.588 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 0.149 2.424 -1.507 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 -18.290 -27.249 2.572 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 1.363 -23.412 13.829 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 -1.590 -9.152 -0.096 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 -7.459 -23.280 -2.962 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 -6.928 1.630 -6.743 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 -3.472 -1.042 -7.254 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 -5.749 5.042 -9.496 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 15.340 3.620 -5.515 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 -2.724 -3.535 4.347 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 4.416 7.934 9.002 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 6.392 0.218 10.696 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 -1.014 2.038 0.297 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 -9.263 -25.415 -6.829 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 -3.615 -2.313 1.893 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 9.821 0.275 -2.635 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 -21.669 3.904 -5.612 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 -19.519 5.795 -13.234 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 -1.487 0.946 -1.678 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 -0.564 31.137 8.676 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 21.971 -17.633 -8.003 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 0.391 1.241 -3.142 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 -0.343 -0.238 -6.091 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 -1.047 0.465 -6.873 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 1.014 5.829 1.089 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 11.742 15.025 -21.460 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 -24.496 22.468 10.822 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 -1.493 -0.089 -1.206 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 6.017 4.317 24.392 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 -6.859 13.683 -9.175 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 4.597 2.235 0.970 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 2.958 2.308 14.223 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 5.546 3.458 -1.258 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 -2.981 6.322 2.191 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 -8.504 4.270 5.935 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 -5.183 5.422 -4.142 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 1.810 -5.472 -2.006 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 -1.387 4.959 -5.922 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 -8.480 -5.144 -5.780 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 -2.144 -7.470 2.221 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 -5.858 -5.917 1.784 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 11.882 -13.375 5.172 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 6.914 2.771 4.677 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 -2.393 28.432 2.489 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 3.987 11.358 3.653 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 8.147 -4.263 2.704 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 19.558 -4.299 10.461 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 8.176 8.048 -1.632 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 6.483 -0.119 0.294 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 -3.834 25.809 -3.172 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 -4.835 -2.796 -5.813 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 -1.125 -2.836 2.125 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 3.762 -6.740 11.450 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 -19.214 -16.358 -30.203 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 1.191 -0.647 1.788 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 26.226 -12.282 12.501 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 17.321 -7.638 9.028 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 1.599 2.440 -3.563 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 9.414 13.526 -8.376 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 -9.724 10.151 -3.361 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 0.217 -2.385 -8.766 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 6.014 -3.622 12.357 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 -0.898 -9.743 10.118 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 5.071 -2.475 1.242 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 2.636 29.747 8.526 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 4.305 12.812 -8.639 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 -0.102 10.756 -0.759 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 -3.593 8.683 -0.694 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 -0.324 11.579 -2.504 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 -7.216 0.162 -1.919 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 4.956 -8.084 2.819 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 -23.103 8.332 -8.342 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 2.688 -9.969 -5.954 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 1.698 -24.440 4.625 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 7.622 -13.404 4.493 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 0.149 -2.751 3.727 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 7.861 7.896 6.524 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 -1.668 -6.771 5.024 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 7.151 1.764 -12.925 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 -6.324 -9.166 -12.229 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 1.882 1.760 -14.675 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 -3.117 -10.891 -0.749 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 -10.680 0.434 7.705 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 9.959 -0.360 27.370 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 2.609 -4.197 5.831 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 18.903 -6.269 -10.264 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 9.757 6.205 -27.741 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 -5.795 6.755 9.569 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 -2.327 -5.023 11.227 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 -7.623 -15.832 12.784 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 -7.204 0.672 5.942 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 -12.626 -10.258 9.728 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 18.241 9.796 -24.948 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 -2.977 -0.544 3.352 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 3.568 12.992 -11.223 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 -20.790 13.228 18.178 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 -3.067 4.682 -4.423 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 -4.030 0.046 3.949 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 5.387 1.362 -5.377 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 -3.857 0.358 -5.455 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 -4.542 -23.032 -4.939 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 2.323 1.819 7.361 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 0.022 -1.825 2.934 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 3.780 9.443 -4.182 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 6.663 8.610 3.347 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 6.750 2.982 9.813 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 -21.636 4.648 -0.718 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 21.332 -14.950 -6.487 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 -1.061 -1.674 -6.451 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 11.456 32.129 -4.662 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 -12.768 -15.411 15.732 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 -3.390 5.613 6.961 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 -29.155 13.560 -14.346 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 -4.399 -20.573 9.419 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 2.338 -3.049 6.608 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 3.979 -2.143 3.970 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 7.573 5.178 23.992 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 6.257 0.001 -0.969 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 11.638 -6.807 5.179 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 6.103 10.103 5.688 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 2.106 1.555 6.843 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 14.145 13.131 11.164 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 -27.512 27.913 3.528 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 2.831 -2.542 5.028 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 13.259 3.978 -4.676 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 -11.498 -12.494 -7.292 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 0.880 -1.982 1.667 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 6.467 -4.207 2.477 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 -11.175 -4.708 -5.746 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 1.097 -5.854 -3.992 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 8.298 1.874 -10.634 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 -17.106 -4.572 -5.170 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 0.670 -7.952 -2.978 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 -0.543 -0.562 -6.475 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 20.139 -24.465 -6.734 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 -0.624 -1.283 2.533 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 -15.627 -0.440 11.066 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 -2.090 7.321 3.707 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 -0.189 -1.455 6.110 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 3.460 -3.051 8.042 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 -3.076 -5.522 18.532 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 -2.034 -4.115 4.994 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 -4.559 -7.207 8.153 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 -4.514 -6.795 7.947 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 0.447 -1.410 4.882 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 5.635 -5.672 -1.453 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 -3.550 -8.120 -2.477 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 -0.302 -1.097 -4.436 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 19.252 -0.275 1.239 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 -43.302 19.033 0.413 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 4.253 3.908 0.207 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 12.637 6.384 -0.422 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 -12.982 -1.984 -0.779 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 3.472 0.628 -5.472 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 5.117 7.816 -5.292 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 9.754 -1.352 -1.521 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 -0.663 -5.080 1.770 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 -12.178 3.177 23.703 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 -5.627 -11.207 3.211 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 8.919 3.884 0.612 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 9.986 -0.384 -17.193 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 6.784 4.228 -0.902 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 -6.610 5.800 1.535 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 -7.321 6.200 1.444 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 -5.819 6.041 0.655 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 4.690 -5.176 2.271 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 -13.700 -7.028 21.743 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 9.474 -16.154 -9.277 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 -2.013 -2.171 4.814 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 -8.841 13.829 3.175 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 -13.783 -11.063 -1.809 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 1.080 -5.650 -5.159 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 17.311 0.332 -7.936 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 5.901 -14.113 -7.790 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 1.125 -1.099 1.483 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 7.169 9.987 1.370 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 -4.815 -10.348 1.650 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 2.998 -5.467 1.269 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 1.630 0.026 -0.908 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 2.877 -7.791 -10.541 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 -6.132 2.373 2.498 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 -10.242 14.334 -10.627 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 10.042 3.755 9.499 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 0.961 -1.234 -8.825 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 2.375 1.164 7.917 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 -2.499 6.682 8.450 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 8.971 1.074 -2.199 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 -16.969 -0.860 35.699 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 -3.311 -10.190 7.522 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 -1.978 3.855 4.856 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 22.634 16.376 16.626 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 -6.277 25.535 2.982 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 -1.857 4.276 -6.730 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 12.753 27.371 -3.955 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 -17.934 -24.027 -10.233 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 1.870 2.023 -3.489 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 9.572 -4.880 -2.307 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 -12.975 10.915 -6.888 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 -4.397 -2.957 -1.560 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 -21.341 -3.192 13.947 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 4.581 18.458 -0.032 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 -0.330 2.478 -4.897 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 4.131 -10.040 -7.203 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 -0.116 0.096 28.300 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 3.154 2.498 1.873 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 11.294 10.888 -14.480 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 5.463 5.854 -3.749 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 -1.224 3.911 -0.192 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 9.827 -2.660 -3.768 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 6.558 8.084 8.060 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 0.144 0.959 -1.627 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 5.078 3.059 -21.618 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 -4.097 -3.382 -6.237 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 -1.216 9.830 1.340 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 -6.874 -10.342 -1.245 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 8.419 17.799 7.065 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 3.843 -4.341 -2.103 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 -3.466 13.449 15.054 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 -2.252 13.966 14.408 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 2.055 0.796 -5.580 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 6.776 11.338 -33.189 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 -13.686 4.866 -23.415 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 4.871 4.909 -2.232 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 6.035 7.049 2.263 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 -19.818 17.738 12.635 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 -1.096 -2.152 3.022 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 -13.807 0.030 -0.781 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 -2.140 -1.841 0.646 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 -0.977 1.626 1.282 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 10.180 -20.153 -18.900 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 9.966 10.634 -10.877 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 -7.543 1.819 -0.382 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 4.495 -2.751 16.694 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 -24.976 -0.738 -16.037 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 -0.019 -2.463 1.701 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 4.763 -0.291 -3.875 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 0.682 2.245 7.169 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 3.238 -2.961 8.112 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 -8.883 5.744 21.739 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 -6.839 2.532 7.779 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 7.677 3.272 0.367 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 8.937 20.621 -9.125 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 7.601 -6.706 7.976 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 -4.377 4.150 -1.951 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 3.997 -20.919 -6.906 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 -1.721 1.251 -12.845 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 1.735 2.116 8.834 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 14.057 4.166 12.487 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 -8.940 18.602 7.788 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 -3.121 -4.391 5.970 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 1.884 5.297 27.381 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 -14.145 -16.370 32.543 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 0.875 6.319 -0.120 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 0.872 5.991 -0.379 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 1.619 11.060 2.986 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 -5.248 -4.722 0.210 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 -22.837 -5.359 -5.236 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 -12.584 -0.086 -4.963 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 -3.851 7.043 1.290 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 4.006 -3.297 -9.528 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 -14.653 -9.770 17.837 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 -6.481 1.000 2.187 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 0.653 17.075 15.875 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 -20.043 -0.342 -9.523 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 3.546 -3.815 4.782 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 -3.042 -1.197 -0.481 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 -9.298 -4.820 26.946 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 -1.814 2.109 0.633 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 3.139 20.015 15.479 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 14.367 -1.880 -9.834 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 -0.014 2.939 -0.411 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 -0.870 25.538 -6.063 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 -0.029 -26.588 3.651 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 4.096 -0.966 0.531 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 -10.884 -17.671 -2.853 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 -0.414 14.712 -0.009 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 -6.571 -5.208 0.703 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 -8.810 -9.298 4.096 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 2.095 4.845 0.602 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 2.803 -1.728 -0.664 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 1.505 -2.978 -3.071 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 3.843 -3.608 -15.589 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 3.966 1.493 3.488 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 6.091 1.827 20.264 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 0.234 0.699 -26.245 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 -6.363 5.373 -8.270 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 -4.966 2.191 -0.351 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 -2.621 4.719 -11.151 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 3.261 -0.751 1.391 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 -2.097 4.520 6.805 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 9.037 -9.121 -4.839 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 -4.082 -1.160 3.334 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 34.175 -11.976 8.276 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 2.334 11.932 -6.918 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 2.957 2.148 0.696 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 -2.990 -5.169 10.468 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 -0.149 4.618 -3.429 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 0.096 3.713 -1.212 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 11.519 28.245 14.479 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 -12.417 -12.485 -2.687 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 2.790 1.882 6.611 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 17.840 19.584 -4.045 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 15.219 16.733 -2.442 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 4.806 5.117 2.010 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 4.813 -11.839 5.676 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 0.527 6.570 16.586 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 1.719 1.240 -0.084 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 -7.747 -3.778 -9.740 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 8.306 9.558 6.652 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 0.385 -1.863 -4.842 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 -13.700 -12.974 -1.815 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 3.375 0.188 3.727 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 -2.316 -4.404 -7.221 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 7.592 19.825 -11.893 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 6.737 23.429 8.130 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 4.826 -3.136 -5.489 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 -12.104 6.192 -15.029 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 -24.946 1.305 -54.905 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 -1.482 -1.704 1.809 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 8.128 -3.621 -13.732 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 -0.072 5.361 -11.772 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 0.805 0.496 -4.280 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 -7.553 -1.727 5.875 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 -46.504 -10.711 0.491 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 3.607 -10.042 -2.465 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 7.241 -17.769 -0.164 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 -9.673 -4.918 12.450 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 6.973 2.053 -1.378 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 -16.610 -6.225 4.939 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 -1.674 2.470 -2.189 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 5.094 -2.108 -1.290 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 -4.211 -6.780 -10.729 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 -8.099 -3.915 -0.829 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 -7.049 -3.618 -2.394 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 -25.554 7.269 5.540 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 12.843 -3.929 -24.000 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 -1.718 -1.756 0.704 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 -3.508 -18.237 24.099 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 -3.660 -10.858 11.936 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 -5.257 -0.573 1.656 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 -18.904 18.070 6.569 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 -16.738 -5.369 3.976 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 -3.536 -2.707 -0.422 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 -17.213 10.466 -14.767 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 -8.034 5.485 25.031 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 -3.358 1.618 -6.045 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 -2.404 -1.016 -11.324 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 -13.823 -14.925 -32.764 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 2.168 7.602 1.582 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 4.820 17.862 -19.954 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 2.744 10.272 -4.830 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 1.162 4.804 -2.174 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 1.946 8.790 25.210 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 15.914 -0.743 -9.281 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 3.633 -3.363 -3.145 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 20.569 -8.903 -4.064 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 8.422 3.884 -32.930 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 -4.252 -1.527 -1.634 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 -5.418 5.439 1.904 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 -3.488 -1.951 -3.737 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 -4.458 -7.074 -1.220 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 -11.664 -4.394 -3.719 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 -19.963 6.438 11.546 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 -0.865 3.952 -2.289 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 3.799 -5.563 11.611 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 3.137 21.875 3.476 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 -4.718 -2.544 2.363 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 6.555 -10.599 12.365 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 -4.232 -18.659 -18.748 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 0.073 4.303 -1.511 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 4.724 8.412 35.876 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 0.090 6.511 4.516 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 3.043 2.908 0.492 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 18.670 6.871 0.305 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 -1.586 10.048 -1.877 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 2.509 5.153 -6.892 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 -0.886 12.750 -11.901 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 2.964 -2.109 -4.281 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 -5.584 6.650 -0.199 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 9.237 -4.857 -5.009 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 -15.214 -15.554 3.088 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 -2.844 -0.745 1.045 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 -3.821 -1.832 1.222 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 -9.781 -12.899 8.767 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 -1.365 2.753 3.010 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 -14.929 17.580 4.543 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 -19.104 -4.282 -22.917 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 6.064 0.697 -1.605 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 3.643 13.074 -8.664 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 -7.358 -5.430 -6.243 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 2.939 8.277 0.126 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 -2.008 18.963 -15.229 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 -7.242 12.271 9.459 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 2.811 0.637 2.102 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 -10.045 -3.255 -19.842 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 -1.306 16.887 7.742 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 -0.075 2.259 -9.123 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 -2.965 -6.064 -3.908 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 7.386 0.240 -11.414 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 12.575 -2.486 0.940 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 20.795 -8.884 6.652 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 5.695 8.925 11.101 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 4.578 5.213 -1.152 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 -0.352 1.210 -6.510 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 2.699 23.540 -2.547 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 -1.910 0.613 -6.173 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 0.663 17.343 -15.139 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 -11.600 -21.061 5.428 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 4.007 -1.482 0.750 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 4.484 4.814 -11.954 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 -3.166 -5.934 8.977 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 2.614 2.604 3.354 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 -1.634 -14.065 3.642 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 -3.701 -22.795 3.034 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 -0.352 10.662 2.982 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 -9.945 -5.381 -5.116 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 13.134 -12.559 -0.714 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 3.886 2.174 -4.798 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 15.154 18.678 -1.597 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 11.426 3.864 -13.622 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 -3.325 -6.645 -0.668 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 5.041 -14.753 10.774 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 8.105 8.950 17.705 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 -5.750 6.146 2.744 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 10.631 2.203 15.645 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 5.541 -9.581 13.761 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 -1.918 4.694 -0.551 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 58.122 13.558 1.671 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 4.483 2.937 14.253 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 5.165 3.212 -0.633 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 -19.701 -10.902 -2.730 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 27.104 20.094 -2.097 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 4.222 -5.705 -0.426 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 21.884 -19.226 18.899 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 0.013 0.130 -0.265 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 1.423 -1.667 6.807 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 3.030 -3.442 -8.620 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 2.377 4.743 6.917 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 9.292 -0.470 -0.967 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 10.797 -6.334 -2.661 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 -3.312 8.035 -4.501 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 -4.557 -2.942 1.185 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 -23.782 7.195 9.933 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 -2.991 17.629 -1.631 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 -2.453 -3.845 4.569 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 -18.346 -21.978 -5.894 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 -0.573 0.475 14.036 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 1.284 -5.477 -5.911 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 34.137 17.351 11.921 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 -8.098 -6.447 -7.078 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 0.217 0.886 -5.480 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 -7.949 7.141 -3.975 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 8.775 -9.020 0.801 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 2.023 2.212 3.041 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 -7.323 4.146 13.938 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 -1.653 38.283 -13.333 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 -2.867 -4.603 6.400 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 2.799 -7.108 3.486 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 -21.861 -4.984 10.093 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 7.721 2.973 -0.589 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 6.706 11.408 -4.492 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 -7.205 9.523 -4.571 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 -5.892 -3.196 2.600 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 -17.237 -14.951 7.876 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 -14.872 17.891 0.102 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 -1.932 -0.676 0.352 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 -11.429 4.280 -24.744 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 1.283 -4.525 13.814 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 -0.926 3.287 5.350 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 -14.896 2.474 -11.313 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 -6.354 -0.036 0.241 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 2.906 2.704 6.521 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 -9.760 -6.224 2.411 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 22.101 22.298 16.754 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 -5.662 -8.348 0.128 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 -11.659 0.662 -6.507 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 29.887 -3.404 -8.271 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 11.608 1.002 -3.668 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 23.749 3.921 -0.541 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 22.574 0.581 13.801 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 2.957 1.066 -5.904 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 -11.570 1.842 11.937 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 18.817 12.936 -3.417 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 2.678 -3.595 0.221 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 7.550 0.994 0.789 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 -3.389 0.594 10.826 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 3.797 0.053 0.351 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 19.483 -19.532 21.865 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 9.518 3.345 1.684 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 0.533 4.687 -4.832 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 -8.948 -17.212 -6.957 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 14.784 3.615 -14.985 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 2.400 -2.372 0.594 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 18.689 8.373 -1.301 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 1.488 -20.610 -19.553 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 -3.437 1.167 2.016 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 6.609 8.786 8.038 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 3.637 7.141 7.450 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 -2.845 -1.827 -2.211 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 -1.402 -7.352 -11.952 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 20.076 16.955 10.258 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 2.261 -0.899 -6.859 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 11.034 5.042 -10.443 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 -4.115 1.993 -1.256 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 0.684 -3.257 0.188 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 -1.779 3.982 3.303 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 0.973 -5.442 -1.952 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 2.135 1.345 -1.899 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 11.973 -39.693 4.529 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 16.693 -2.792 12.758 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 4.428 -0.800 4.083 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 2.751 -9.629 3.422 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 2.450 -15.549 -0.447 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 -0.067 -2.002 -5.669 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 2.403 -11.347 7.004 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 3.165 2.486 -5.306 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 3.542 -0.893 -0.235 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 8.216 -1.127 6.084 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 14.697 -4.167 9.398 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 -5.060 -3.864 4.599 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 7.708 -10.085 -2.149 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 -3.724 1.591 7.331 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 1.910 -1.696 -3.323 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 1.012 -10.731 -1.532 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 4.748 14.393 -7.037 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 2.868 1.499 0.943 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 -1.447 -3.155 -13.934 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 -11.522 15.589 13.082 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 0.631 1.378 -5.226 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 12.831 -2.280 6.794 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 -33.646 -8.293 -6.871 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 12.074 7.636 -3.203 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 15.913 9.889 5.019 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 -13.109 -8.041 -36.596 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 -3.702 5.829 8.986 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 19.049 -4.561 2.380 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 -20.526 3.934 -1.601 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 6.884 6.814 -6.409 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 10.139 4.987 -2.353 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 9.899 2.376 2.907 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 4.577 -6.928 12.305 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 12.679 3.112 -13.523 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 7.078 26.996 -5.243 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 -2.873 -2.695 1.290 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 -3.876 4.333 -1.042 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 -4.120 5.943 -1.503 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 6.375 7.518 -1.482 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 4.014 5.556 0.933 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 -1.667 8.714 11.200 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 0.953 1.400 -7.571 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 -7.670 -7.032 -12.703 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 -3.292 8.348 -15.052 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 -2.124 -4.563 6.525 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 4.380 -2.457 7.653 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 0.385 -8.949 -3.061 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 3.032 2.272 -3.386 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 -1.145 5.980 1.100 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 7.705 11.118 -13.900 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 -1.223 2.530 0.030 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 -0.421 -14.892 8.789 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 -1.099 12.590 -23.908 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 0.426 -10.651 -4.503 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 15.969 4.059 12.455 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 19.052 -9.488 3.183 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 3.169 4.538 1.551 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 -19.931 -20.873 21.198 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 14.419 -3.993 5.578 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 1.071 0.923 6.305 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 16.375 5.544 17.281 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 8.347 -11.306 -6.946 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 -0.838 -2.859 5.796 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 -3.366 -16.636 23.219 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 -20.813 2.997 1.600 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 -1.715 6.709 -7.142 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 -1.355 6.481 -9.320 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 -1.280 15.258 6.264 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 0.680 -2.878 6.208 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 0.692 -6.189 -2.396 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 -6.903 -15.262 -6.069 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 -0.654 -2.690 4.119 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 10.083 9.957 -2.509 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 -0.340 -3.560 11.453 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 -4.260 -3.687 1.199 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 -6.634 0.095 5.271 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 -21.356 -16.796 -20.372 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 -6.201 4.660 0.477 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 -19.309 22.494 16.732 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 23.266 -16.100 -2.335 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 9.725 3.428 -7.213 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 6.741 -11.264 -6.559 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 -8.444 52.763 7.047 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 -1.394 -7.113 1.280 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 10.607 -35.977 2.804 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 -1.940 20.577 17.492 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 2.371 2.603 -3.245 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 0.101 -10.905 -15.858 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 2.524 -5.034 13.609 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 -1.923 -0.870 -2.221 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 -16.838 31.612 -18.311 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 -3.038 -7.311 -1.491 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 2.608 -0.945 3.313 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 -21.299 19.848 -15.548 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 4.568 4.228 6.617 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 -4.226 -4.495 -0.854 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 9.069 -3.832 5.399 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 14.268 -28.602 13.825 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 7.815 -3.240 6.398 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 3.085 -9.825 -16.940 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 -6.635 -3.903 20.824 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 -4.403 -3.263 -0.436 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 9.517 -0.513 6.638 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 10.948 7.236 6.283 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 12.276 6.674 -6.334 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 -0.390 9.663 -1.832 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 -1.756 25.818 15.905 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 1.201 -3.259 3.115 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 -3.853 0.713 -4.283 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 -7.518 5.179 8.101 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 3.727 0.374 -3.250 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 17.011 -8.337 17.668 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 -16.015 14.133 23.054 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 -1.855 4.224 3.404 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 11.683 3.225 -5.384 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 -14.144 -4.401 13.466 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 -4.536 4.410 -6.137 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 11.074 8.638 -25.317 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 7.783 5.223 9.193 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 -0.106 5.391 4.804 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 -22.165 -12.350 12.282 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 -17.000 18.833 -11.636 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 4.406 -4.793 5.106 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 -19.422 -16.671 25.633 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 12.084 2.714 -4.546 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 -0.857 -9.814 -0.120 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 5.737 3.851 -7.545 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 -7.372 10.338 -26.877 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 4.385 -0.621 -6.037 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 -3.288 -1.871 -19.623 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 1.785 2.805 9.899 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 -4.080 -0.427 5.193 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 10.431 3.213 -15.749 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 7.729 17.059 17.791 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 -3.826 -4.206 1.793 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 -3.805 -4.516 0.161 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 -3.145 -4.952 -0.274 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 2.389 -5.577 -1.381 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 17.165 -2.204 -4.628 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 6.148 -24.852 15.237 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 0.203 -0.736 0.493 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 10.294 5.382 -5.283 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 5.393 11.313 0.420 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 0.583 1.650 1.890 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 -19.943 -29.322 2.960 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 -22.102 -15.236 4.624 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 1.632 -4.297 1.425 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 1.056 -5.085 1.266 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 5.943 5.749 3.801 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 2.211 0.659 -4.422 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 -9.847 4.655 1.028 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 -22.686 -0.991 -2.202 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 2.230 4.844 -2.792 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 -19.613 -7.719 -5.419 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 8.502 -5.351 4.272 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 0.143 1.676 4.730 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 13.625 -7.233 -1.276 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 0.714 -9.982 6.432 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 0.086 -0.565 -2.324 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 16.229 1.624 9.683 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 -13.546 -14.089 -0.821 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 1.554 4.033 -2.666 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 4.190 -23.750 1.784 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 17.877 2.214 23.693 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 0.107 -1.344 0.737 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 -0.674 -9.698 -5.199 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 -11.591 4.103 6.219 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 -3.056 0.051 -3.179 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 -5.586 -3.185 -6.325 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 32.794 30.845 -4.620 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 -0.272 4.790 -1.145 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 3.319 8.394 -6.209 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 -1.044 7.088 -15.681 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 5.402 -1.798 -4.409 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 -11.705 -8.205 -4.451 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 4.240 -8.128 -5.160 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 -4.971 2.522 7.366 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 -18.851 0.773 1.689 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 -0.365 4.048 2.273 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 -0.826 -0.870 -4.895 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 -3.433 19.999 6.456 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 -4.364 0.138 -4.423 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 -6.861 3.349 -2.512 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 11.101 4.144 -2.918 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 -13.526 7.563 15.141 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 7.954 3.032 5.549 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 0.406 -12.503 -26.109 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 6.995 8.000 15.111 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 -1.346 5.250 4.402 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 -20.883 3.463 4.960 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 -33.965 7.529 -7.627 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 -2.529 0.630 -0.180 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 -4.469 5.077 -3.794 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 5.318 17.351 -23.027 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 -0.627 3.580 -1.340 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 -2.485 -3.320 8.904 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 10.958 -2.184 -9.486 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 8.051 -0.809 4.038 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 3.112 -17.653 -8.044 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 7.059 17.525 12.052 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 -2.952 4.508 7.390 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 4.594 14.166 -31.386 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 -9.443 9.869 1.407 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 -2.142 -2.874 2.679 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 13.052 -1.488 5.736 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 -0.703 23.665 -1.380 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 2.084 -1.556 3.559 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 -13.492 -0.552 0.437 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 -3.089 2.075 -3.590 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 5.991 2.841 -6.838 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 5.444 -3.729 -3.842 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 5.771 -6.906 -1.263 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 -3.827 -1.062 1.176 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 -14.063 15.514 -4.750 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 12.023 -2.362 7.958 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 -2.044 5.273 1.251 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 16.226 24.326 -5.819 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 8.005 13.026 6.777 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 7.888 -1.159 -2.389 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 -5.090 -11.005 -11.294 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 4.891 27.983 9.017 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 8.343 -4.302 1.637 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 30.370 -5.205 7.074 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 -28.815 -4.248 -12.845 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 -1.086 -0.493 -7.483 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 -2.218 -2.463 -5.198 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 -7.144 -3.613 -6.755 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 5.811 1.694 -3.636 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 26.684 -4.980 7.492 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 -4.308 0.314 -7.771 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 1.831 -0.645 9.296 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 12.353 2.439 10.270 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 -2.284 5.273 -1.239 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 -0.819 -2.781 -1.667 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 2.319 -26.124 6.716 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 -5.919 -4.968 -26.559 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 -3.033 -6.379 -0.885 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 -21.344 1.132 -3.339 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 -11.482 -5.242 5.010 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 3.821 1.944 -4.591 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 18.385 -2.637 -0.010 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 8.024 1.884 5.512 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 9.173 0.931 -0.699 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 -5.729 13.741 -19.049 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 -6.598 -6.905 18.453 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 -5.011 -4.177 0.571 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 -0.962 -2.395 0.640 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 -13.729 -19.766 -22.787 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 1.376 -5.921 1.691 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 7.448 12.240 8.794 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 30.332 22.732 4.999 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 0.409 -2.184 -5.208 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 -3.336 9.827 -30.871 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 7.302 23.261 -0.386 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 -7.089 4.105 -0.112 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 -13.451 10.962 -3.143 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 -7.603 4.081 10.978 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 -0.392 -8.594 0.793 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 -9.117 21.693 -22.936 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 4.591 2.888 -11.625 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 -3.122 5.335 -1.305 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 0.554 4.918 -3.862 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 -2.268 0.680 5.126 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 -0.210 2.818 -4.873 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 -8.267 7.357 -0.833 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 9.211 0.371 -10.696 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 -8.882 2.937 0.209 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 -16.114 -1.011 -0.086 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 8.095 10.835 -5.896 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 3.817 -2.287 0.217 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 -7.618 -2.808 10.981 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 -10.623 5.122 11.684 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 2.636 -5.005 4.974 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 9.611 28.409 11.676 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 2.175 8.049 7.776 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 5.495 -3.432 6.238 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 -15.773 -6.337 2.912 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 18.337 -5.785 -5.315 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 -5.509 -5.377 -8.906 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 -11.367 -1.934 -7.896 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 -5.564 -12.456 -10.019 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 0.023 2.961 4.577 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 4.087 25.907 0.144 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 30.945 -14.495 11.380 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 -1.321 8.412 -6.020 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 -6.827 7.116 0.580 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 -3.843 8.579 -0.241 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 3.005 1.660 0.943 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 11.706 -6.872 7.640 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 -3.113 -2.435 10.223 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 -0.112 1.813 2.950 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 -9.348 5.219 -5.993 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 1.319 0.565 5.212 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 2.464 -0.837 2.087 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 6.676 7.619 17.418 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 -0.788 12.502 -27.032 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 -2.174 -2.955 -3.293 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 -22.834 -5.377 -9.176 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 -0.640 -17.176 12.946 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 0.434 1.865 2.361 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 28.648 19.828 -1.939 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 -13.302 -9.257 5.538 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 -0.043 7.140 4.631 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 1.669 20.505 2.820 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 -1.706 0.068 10.975 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 5.550 -2.899 -5.828 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 5.709 -12.520 10.378 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 6.946 -0.022 8.524 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 0.686 -3.697 -6.740 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 13.613 -8.769 9.907 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 25.067 4.108 13.783 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 -0.620 2.444 -3.033 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 -4.217 19.039 -4.727 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 8.723 -0.787 -15.315 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 -7.635 5.619 -4.017 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 17.568 12.808 1.369 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 -16.915 7.140 -4.650 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 -0.750 -8.018 -1.938 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 28.854 -3.983 -12.025 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 11.241 -35.494 16.807 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 -2.908 3.430 1.670 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 -8.446 35.135 42.436 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 5.088 -13.977 4.570 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 -4.759 3.504 2.700 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 -15.430 6.698 10.822 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 -24.884 -14.771 -12.568 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 -1.066 1.318 2.346 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 -16.732 -3.117 -2.616 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 11.585 11.706 -8.292 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 -6.258 -4.643 3.192 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 -16.553 -2.689 11.494 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 -14.245 0.888 14.143 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 2.757 4.498 -2.958 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 -21.702 15.024 -24.996 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 22.665 -1.709 15.531 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 4.662 1.421 -1.910 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 14.887 -13.078 -1.772 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 -4.736 21.303 5.556 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 1.270 0.916 0.381 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 7.433 -14.729 -25.869 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 -17.377 10.609 -10.082 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 -5.430 7.674 -2.820 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 -8.376 -21.794 1.071 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 13.993 8.042 -26.803 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 3.573 0.282 -5.624 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 14.822 1.227 -29.021 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 -15.073 -18.179 7.534 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 -1.354 9.579 3.111 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 -6.329 14.023 -0.773 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 -13.085 20.628 -2.146 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 7.467 1.849 -2.177 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 11.398 -1.183 -10.193 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 -24.092 -16.070 4.658 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 -1.750 -2.132 -0.104 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 -2.631 1.130 1.758 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 -32.050 -12.131 -12.701 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 -1.653 -1.378 3.265 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 -18.274 -13.568 -7.944 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 16.799 -23.993 -0.876 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 0.017 5.904 -2.662 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 24.683 3.519 -6.819 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 12.492 11.542 6.462 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 -2.134 0.022 -8.574 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 2.176 20.960 17.954 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 3.305 -9.825 10.952 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 1.827 2.221 1.433 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 6.264 6.961 11.629 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 9.502 10.653 20.157 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 -4.085 2.412 -12.022 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 -24.912 -12.198 -7.752 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 -3.937 2.141 0.204 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 8.581 -2.393 -3.914 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 -1.579 13.091 -8.353 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 12.677 9.321 0.996 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 -1.101 -5.082 -4.004 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 6.293 -1.877 -23.530 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 9.736 -15.381 -6.638 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 -6.423 -2.449 5.374 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 -3.524 12.288 1.247 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 -22.179 3.285 -12.435 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 4.014 2.701 6.359 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 7.031 -5.682 1.445 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 2.311 -4.578 1.168 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 4.749 -4.182 -4.506 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 5.220 -3.249 -7.440 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 -14.190 -3.075 26.786 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 -2.934 4.670 1.805 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 5.722 -11.235 -8.926 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 3.005 36.364 13.258 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 0.895 1.579 -4.557 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 -13.009 -21.171 2.517 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 1.476 19.125 17.464 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 2.228 -3.378 3.857 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 9.072 6.207 12.196 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 -22.231 2.370 -5.433 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 -1.118 -9.549 -6.546 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 -2.454 -9.885 -12.211 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 -0.895 -8.627 -2.559 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 1.090 -1.975 4.955 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 23.701 10.669 0.666 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 2.068 -15.712 -11.526 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 1.029 0.465 -3.846 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 -0.863 -24.087 -4.705 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 1.812 -20.338 -2.523 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 -3.579 0.128 1.693 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 -9.515 -4.294 -1.080 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 30.997 -1.663 3.866 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 3.336 5.376 -1.392 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 -1.380 2.976 -7.297 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 15.839 0.299 5.641 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 -4.411 0.256 -0.066 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 0.390 15.020 7.807 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 -9.633 -8.009 -13.182 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 5.231 -3.639 -7.221 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 -5.586 -2.484 -7.948 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 8.092 -15.229 -14.824 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 -2.985 6.292 7.038 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 -16.062 -4.473 4.645 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 -20.453 19.344 4.922 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 2.220 0.827 7.650 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 -4.645 7.467 5.051 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 9.964 8.210 5.378 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 3.039 -3.363 -4.603 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 0.176 37.218 -6.923 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 2.268 -9.435 -6.653 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 0.060 6.155 -1.232 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 -13.769 -2.329 -9.188 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 7.796 -11.199 15.369 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 -2.729 9.378 -1.219 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 -8.476 -3.435 -1.797 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 11.524 8.068 -6.484 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 -4.344 4.534 0.049 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 0.469 10.032 21.632 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 -13.200 3.481 -26.186 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 3.438 0.519 0.752 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 -7.486 8.555 5.567 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 -10.922 16.333 15.763 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 4.025 -1.015 3.275 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 36.945 -17.142 7.237 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 3.189 12.266 19.837 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 -4.425 -1.157 2.741 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 -2.464 5.144 5.168 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 -3.692 1.630 10.780 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 2.358 -6.835 1.531 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 -3.256 2.485 24.529 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 10.558 -1.992 -11.581 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 -2.654 -4.690 -3.648 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 -23.801 5.342 -9.697 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 27.897 11.939 1.096 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 5.333 0.724 -2.549 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 10.944 -7.704 -0.390 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 -15.852 11.095 -14.558 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 -0.531 -3.598 5.803 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 3.659 12.273 19.025 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 0.007 2.603 4.659 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 7.447 6.510 -1.801 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 -8.298 -5.418 5.355 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 20.448 21.632 -5.363 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 1.407 -11.201 0.252 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 -6.960 -12.628 5.306 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 8.231 -16.233 -0.260 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 1.671 -2.201 5.552 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 6.392 -5.485 2.181 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 -12.405 -3.523 5.649 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 -5.050 0.851 1.337 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 6.765 14.823 3.995 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 14.492 8.189 2.575 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 5.448 0.520 3.258 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 -24.332 -24.267 7.542 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 -13.508 -8.522 14.369 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 -0.918 -4.842 -4.631 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 9.102 -8.159 -4.882 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 -7.156 0.860 30.411 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 1.926 1.782 -3.149 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 12.868 2.225 -1.911 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 21.472 -2.029 -8.322 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 0.946 -5.130 11.578 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 6.497 8.348 12.412 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 -14.950 -11.253 -13.307 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 0.373 -2.766 -7.000 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 5.048 27.674 -0.135 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 -13.034 -26.162 -17.717 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 1.983 2.294 3.290 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 4.451 -1.813 -2.140 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 -17.673 -19.921 -11.507 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 0.503 -0.713 7.107 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 0.647 0.068 8.496 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 2.674 -1.614 5.778 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 1.142 5.180 -2.491 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 -4.854 -1.859 6.228 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 2.117 18.914 2.049 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 1.738 -0.579 -1.129 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 -0.882 -20.483 7.487 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 -3.966 0.464 2.520 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 2.684 0.260 0.373 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 -3.336 -5.296 -19.626 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 -3.350 16.489 9.852 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 4.582 2.361 3.732 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 4.525 0.028 1.972 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 -8.403 -1.020 0.439 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 -2.115 2.487 5.101 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 1.841 21.061 9.323 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 -4.531 -8.429 -7.032 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 -4.599 -2.300 -1.328 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 -22.447 -2.291 -7.285 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 11.119 -4.211 2.589 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 -9.757 0.479 1.321 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 -12.311 0.449 -2.531 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 -8.069 -5.873 0.657 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 -1.429 -4.283 0.656 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 -20.144 10.710 7.751 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 24.332 -7.506 24.830 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 0.845 0.431 -3.734 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 3.731 9.669 0.708 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 2.842 8.046 -13.071 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 6.236 3.907 -0.722 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 -1.392 1.459 10.081 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 4.119 -8.185 -12.359 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 0.868 -6.213 1.979 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 -12.468 1.665 10.609 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 -19.507 -9.763 14.246 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 0.555 1.682 -1.702 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 9.070 -0.683 5.307 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 -6.070 12.241 7.322 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 0.138 -0.050 -1.813 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 -11.561 16.903 21.562 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 -3.525 1.671 -9.681 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 4.701 2.051 4.351 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 16.685 -11.544 -11.359 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 10.974 -2.090 -1.831 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 6.186 1.504 -2.289 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 13.856 12.397 -0.458 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 -26.969 5.150 3.174 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 -0.953 7.042 -1.703 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 -11.619 7.117 9.892 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 -6.134 -11.532 3.637 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 0.341 3.717 -2.397 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 -9.448 33.181 8.091 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 -18.257 -1.891 -10.572 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 -2.310 -4.407 0.427 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 3.862 -6.460 11.183 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 -8.470 7.331 -14.745 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 1.911 -7.150 -5.260 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 10.636 2.308 2.300 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 8.082 -18.645 -1.954 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 -2.443 -0.177 -3.168 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 6.380 -6.958 -4.707 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 8.684 -1.746 -8.856 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 -3.489 -3.382 -2.273 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 -3.941 -4.115 -1.413 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 1.208 -8.745 -3.022 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 2.244 0.085 2.114 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 4.177 2.798 -0.891 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 -12.764 7.847 -14.669 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 2.147 5.041 -4.802 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 8.193 7.418 16.197 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 10.801 6.457 18.459 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 2.497 1.526 2.204 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 -7.172 -28.479 0.615 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 19.856 3.245 -21.673 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 1.231 -6.014 1.197 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 -8.147 13.714 -3.011 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 12.402 -23.198 9.340 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 1.068 -2.392 -1.301 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 4.811 2.027 -2.713 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 15.747 12.486 -3.860 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 2.264 -1.674 5.023 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 5.963 -5.555 -11.051 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 5.787 -1.819 3.223 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 -3.332 8.830 1.436 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 -4.762 22.335 -7.060 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 2.627 -3.338 -5.150 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 0.327 1.354 -0.308 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 -9.084 2.930 10.438 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 -4.467 4.264 2.078 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 0.508 3.249 1.392 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 -10.643 13.651 25.195 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 22.935 -3.503 11.254 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 1.858 8.962 -0.533 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 -6.825 10.512 18.700 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 -0.379 11.647 -24.582 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 -0.186 9.018 -0.415 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 16.165 29.161 36.069 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 -10.457 -1.095 14.101 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 3.219 -5.522 -1.656 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 -4.611 2.489 -6.976 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 -3.145 -3.563 1.958 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 0.247 -0.359 5.197 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 -24.231 7.711 -4.403 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 10.162 -22.481 -8.425 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 5.243 -1.148 -4.531 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 21.448 12.370 8.037 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 -4.525 5.498 -25.999 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 -3.510 -3.733 -3.257 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 -7.900 28.190 -21.094 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 -8.148 -19.250 20.406 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 2.980 3.755 -1.612 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 2.199 4.676 -5.289 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 -11.569 29.739 12.389 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 -1.437 -6.542 -1.739 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 23.319 0.224 -28.029 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 -13.107 14.461 29.705 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 3.350 -7.992 -3.594 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 2.746 0.114 -23.649 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 -21.356 -5.486 -3.838 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 -3.287 -1.733 6.064 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 -17.436 7.806 -7.888 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 14.362 20.918 -5.540 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 0.623 0.606 3.899 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 -1.389 -13.276 7.178 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 12.086 1.649 -5.581 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 -3.243 7.869 4.175 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 -0.945 2.792 -1.556 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 4.585 -8.751 -9.587 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 4.302 5.072 3.064 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 -6.241 -13.899 -0.608 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 -3.128 20.154 0.334 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 3.676 -4.083 -0.993 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 3.650 3.715 -4.897 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 1.924 1.606 -3.597 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 0.134 -1.782 0.632 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 12.749 19.384 -12.829 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 -5.136 -9.943 6.964 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 6.019 -0.051 0.565 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 -4.006 15.917 -5.240 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 4.383 -3.684 -11.282 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 -3.562 6.650 -4.000 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 6.172 -2.357 -7.676 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 -9.537 -1.000 -1.664 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 2.311 -5.222 0.565 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 -12.392 -8.207 -19.375 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 21.092 -2.211 -1.011 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 -6.778 -8.224 -2.018 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 -2.333 -10.446 -5.444 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 -1.359 -7.744 -3.260 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 4.252 2.478 0.273 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 -5.353 4.628 17.310 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 -4.798 -38.951 9.147 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 0.164 4.106 -0.880 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 7.816 9.717 -23.324 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 5.788 -3.549 10.458 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 4.206 2.161 8.863 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 6.298 4.683 12.083 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 5.280 -3.965 7.794 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 -0.417 -0.648 -0.100 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 -1.295 -3.078 2.865 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 -7.362 -19.124 5.252 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 7.071 -0.977 8.964 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 19.037 -4.339 9.990 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 -5.436 -8.074 -4.920 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 -0.960 1.208 -7.308 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 2.340 9.562 -3.485 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 -3.014 -7.707 1.373 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 3.371 6.702 -2.836 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 9.669 12.497 9.699 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 7.662 9.824 -19.139 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 7.466 -3.193 2.804 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 9.963 10.214 -5.339 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 -7.909 0.688 6.150 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 3.668 -4.172 1.719 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 11.971 -0.744 3.226 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 1.788 0.014 -6.768 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 0.898 1.444 -0.080 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 5.536 -3.664 -3.921 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 -1.145 26.546 4.251 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 -3.914 3.266 0.022 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 -3.860 26.969 7.404 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 -10.212 -12.089 1.556 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 3.140 -1.576 4.485 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 4.045 9.747 12.111 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 16.727 -10.603 -1.321 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 1.385 6.066 0.418 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 -1.332 13.381 25.982 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 5.424 5.844 9.924 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 0.516 3.638 3.002 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 6.184 8.503 -15.387 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 13.385 3.249 -0.196 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 0.229 1.410 -5.518 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 5.774 4.456 -10.004 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 -2.926 1.672 -6.282 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 3.677 3.476 -4.476 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 1.607 3.125 3.495 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 7.755 -27.531 -12.078 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 2.790 -5.948 1.871 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 -6.586 1.089 -2.714 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 -0.351 -2.635 12.562 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 -6.336 1.163 -0.242 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 7.686 3.278 3.747 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 -14.836 4.634 10.252 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 0.143 -0.455 -3.033 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 14.525 11.764 -8.752 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 5.598 -5.315 -11.504 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 0.321 -0.507 3.220 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 -14.110 7.982 -0.388 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 7.795 -6.648 -0.772 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 -4.446 -5.945 2.679 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 0.890 -16.427 7.367 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 -18.901 13.006 27.013 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 -2.590 0.356 1.948 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 -10.223 -20.942 -16.276 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 12.165 20.936 22.433 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 -7.115 3.793 5.680 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 -3.157 23.107 9.640 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 -9.613 -2.491 3.483 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 -2.680 -0.105 2.413 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 12.341 3.156 -1.908 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 1.126 0.913 -1.349 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 -1.150 -3.489 0.850 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 -1.814 10.368 -11.585 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 -10.751 -7.454 -6.329 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 1.214 0.339 -1.316 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 -17.118 -19.068 7.408 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 5.551 3.419 -3.243 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 -7.675 10.004 -1.450 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 -4.393 8.171 1.109 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 -10.399 13.096 -6.509 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 -7.451 -3.000 -1.523 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 -2.551 -5.888 -7.140 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 -5.615 9.838 10.532 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 2.413 1.540 1.395 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 14.727 6.947 32.293 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 -3.646 -0.469 -17.819 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 -0.576 -9.331 1.056 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 2.197 7.670 -16.888 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 -16.336 -9.641 7.513 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 -4.083 -3.032 -4.675 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 6.301 -12.133 6.460 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 -10.944 4.096 -11.802 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 1.478 2.866 -2.776 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 1.199 1.265 -14.669 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 1.739 2.833 -2.136 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 5.025 -1.844 -0.278 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 5.736 -1.149 -1.342 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 -11.688 8.221 2.595 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 -0.561 -3.533 -3.607 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 1.023 -0.397 -5.785 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 -19.268 -13.223 5.142 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 -0.156 -0.438 2.881 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 -18.953 -10.652 10.894 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 -4.593 -10.657 -1.354 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 -7.932 -2.538 0.750 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 -31.788 -0.157 -5.346 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 4.718 12.073 36.082 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 3.105 -0.374 2.784 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 -8.135 -24.864 16.861 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 19.577 -2.914 -27.192 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 1.410 0.170 3.701 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 -32.805 27.424 22.213 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 -20.477 -4.989 4.538 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 2.615 -1.297 2.191 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 -3.388 3.281 18.343 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 -3.383 20.022 -3.827 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 1.281 2.721 -4.915 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 14.250 -4.144 14.133 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 22.760 -4.356 26.708 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 2.548 -3.574 -2.351 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 39.216 -8.447 -20.158 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 -1.685 8.344 4.854 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 -0.111 -4.848 9.118 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 -5.990 -6.339 5.965 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 -7.393 1.021 8.300 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 -1.987 -1.011 7.892 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 -6.096 -2.486 -8.758 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 -22.199 3.142 -38.438 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 1.151 3.756 -6.320 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 0.970 18.128 -42.386 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 -3.666 -7.515 2.160 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 0.763 0.095 -1.249 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 -8.454 -11.891 33.662 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 -5.653 12.176 -0.094 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 -1.457 0.146 -6.227 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 -9.373 13.617 19.501 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 -18.110 20.189 25.229 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 3.223 3.418 -1.906 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 2.907 5.128 1.177 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 3.656 -2.277 -9.419 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 -2.390 -5.982 2.288 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 -2.139 -1.314 13.579 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 -0.045 -5.292 8.856 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 1.332 5.357 8.230 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 0.869 13.256 2.478 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 1.649 -2.198 10.906 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 1.424 -2.701 5.966 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 6.019 -25.452 35.304 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 6.908 0.346 -3.048 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 -2.321 -2.752 5.061 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 -4.527 -2.264 35.740 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 -10.706 27.058 -8.756 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 6.080 0.565 0.333 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 -7.252 0.877 -7.307 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 5.782 -1.267 10.686 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 2.305 4.316 -0.624 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 5.579 -13.127 -6.311 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 1.217 9.097 18.342 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 -1.770 1.563 4.204 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 24.314 13.370 -19.891 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 -22.147 -23.698 -7.240 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 -0.571 4.587 -1.256 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 -11.855 -4.608 6.906 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 17.076 12.575 21.109 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 -6.762 -2.509 -5.803 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 -3.638 5.405 -6.697 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 -7.526 -0.058 0.451 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 4.900 -5.971 3.879 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 18.207 6.821 -5.933 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 -10.825 -5.068 -14.083 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 -3.818 13.367 -6.580 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 15.650 5.923 -6.279 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 -6.017 14.390 -6.618 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 -3.391 -0.057 7.285 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 -2.420 0.598 4.914 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 -5.454 0.669 7.489 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 0.801 5.228 -1.695 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 13.693 28.714 20.802 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 -1.965 -4.332 -9.356 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 -1.741 1.353 -3.807 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 7.290 -13.112 -9.389 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 -8.139 -0.589 3.780 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 -0.751 5.657 6.120 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 -16.146 8.062 -17.503 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 17.320 -33.036 1.043 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 0.914 -5.084 -0.721 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 5.282 -2.803 6.771 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 -1.279 -12.932 5.794 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 -2.003 -7.787 4.285 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 -4.097 -16.011 -0.268 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 -15.348 12.609 0.032 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 -1.013 -2.544 1.823 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 -3.125 -1.129 10.219 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 -0.153 -3.159 1.057 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 7.971 -8.365 -0.086 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 10.426 -5.591 -2.243 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 6.824 -19.107 10.319 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 -0.964 -3.528 -0.844 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 -17.766 4.290 -10.782 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 10.243 3.931 -5.719 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 -7.648 -7.211 -0.398 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 5.971 5.907 2.908 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 -10.637 33.678 5.913 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 2.688 0.030 0.289 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 6.645 -9.053 -6.463 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 8.599 -9.999 -0.616 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 0.233 -4.290 -3.400 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 -4.896 7.714 -1.569 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 -5.076 9.036 17.798 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 2.182 -1.377 0.766 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 -0.224 2.927 2.087 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 0.526 -2.723 2.586 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 3.402 0.102 -6.486 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 7.410 -9.626 -12.059 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 -3.564 2.477 -2.342 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 0.277 -0.518 0.717 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 2.774 -4.991 -2.472 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 11.180 8.794 2.974 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 -2.410 4.265 -1.022 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 3.834 0.364 -3.823 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 1.706 9.520 1.838 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 2.256 -2.560 1.847 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 1.894 1.173 1.720 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 -6.923 -0.946 -3.369 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 0.484 -1.035 -0.224 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 -1.398 -2.306 2.937 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 3.312 2.979 -6.249 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 -0.334 3.427 3.572 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 1.597 -15.802 -4.124 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 3.952 -1.721 1.298 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 -7.339 -4.187 -4.781 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 -7.129 -3.902 5.648 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 -0.058 -27.885 39.687 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 5.121 -0.319 -1.902 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 -6.403 4.546 5.540 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 -5.854 5.884 15.544 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 -8.707 5.053 1.937 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 -1.850 4.849 11.551 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 -16.809 -2.458 10.628 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 -3.031 -9.093 -7.824 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 14.417 7.517 -7.355 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 -12.198 -4.949 16.952 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 1.598 1.943 1.025 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 11.384 -3.949 10.289 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 -6.386 10.203 5.658 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 -0.372 3.026 -1.338 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 -14.064 -0.392 7.314 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 11.802 8.556 11.688 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 0.332 4.262 2.100 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 -5.613 -1.026 6.260 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 1.450 -15.015 11.825 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 4.163 2.710 3.970 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 -22.469 -14.340 -38.167 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 -1.781 -0.777 -4.841 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 2.139 7.972 -3.540 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 7.201 -3.814 9.567 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 7.899 4.982 4.889 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 4.726 0.212 7.296 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 8.789 5.260 3.026 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 6.838 5.756 4.457 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 -6.391 0.609 5.228 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 -14.939 3.388 7.579 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 -6.152 -6.421 0.988 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 4.967 2.582 6.150 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 5.304 8.702 7.608 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 9.742 -18.122 5.159 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 3.432 -0.281 -4.910 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 20.446 -8.962 -4.561 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 1.076 -18.292 12.386 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 -0.941 -4.762 -6.818 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 5.563 9.576 8.198 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 3.490 6.649 7.205 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 -8.216 -5.495 -12.100 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 -5.403 -4.725 -4.247 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 -9.808 -2.100 -2.073 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 -1.694 0.702 -7.280 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 0.719 4.321 -1.270 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 -8.670 2.095 -9.779 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 4.422 2.148 8.273 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 4.919 -0.075 8.105 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 18.857 7.210 11.715 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 -0.461 2.743 4.646 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 -18.118 -10.045 0.558 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 -10.798 -9.094 10.850 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 -1.141 0.338 -4.541 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 -0.637 1.083 -10.239 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 -15.161 9.172 -29.943 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 0.250 -3.409 1.583 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 -11.003 -9.099 -8.261 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 -8.432 9.415 9.497 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 -10.170 -4.685 -1.792 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 -25.894 -12.125 4.104 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 11.132 17.263 3.833 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 8.650 2.418 -0.747 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 7.082 -3.230 11.901 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 11.003 14.210 0.828 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 -1.681 0.932 4.905 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 -15.640 -11.705 -12.180 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 5.910 10.429 26.283 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 2.001 2.744 -1.035 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 -6.367 -9.491 4.438 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 -1.238 11.631 -9.422 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 -3.301 -1.015 -4.648 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 -27.206 -12.384 14.533 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 2.539 -8.428 -4.925 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 5.228 -0.437 -6.706 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 -15.729 -9.812 -2.863 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 8.440 12.348 9.955 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 -3.000 -5.949 1.728 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 1.292 -17.786 10.747 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 -6.335 -16.502 -4.579 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 -1.384 4.973 -4.312 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 -11.330 -2.015 2.611 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 -0.841 -8.084 7.208 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 -3.022 -1.006 2.070 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 5.300 9.158 1.603 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 -25.445 -25.462 7.108 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 -1.475 7.266 -6.692 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 -22.116 -33.585 5.756 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 -2.660 -3.388 2.806 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 3.895 -2.661 -2.025 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 7.185 -13.699 -2.027 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 -3.057 3.454 27.059 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 2.901 1.763 3.487 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 1.146 7.851 11.507 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 6.611 -18.270 0.145 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 -0.481 -1.215 -2.688 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 -8.410 -8.608 -24.961 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 -3.429 -15.586 30.746 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 -2.275 -0.987 3.186 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 7.441 16.010 5.047 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 19.568 -7.630 0.198 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 0.024 -2.697 -5.118 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 -0.093 -13.702 -10.460 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 -0.718 2.152 -1.048 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 -4.274 -0.050 -3.926 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 -9.942 -6.545 -8.978 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 -1.846 6.647 -9.993 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 0.066 -5.002 -6.184 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 9.865 19.665 -15.400 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 -13.755 -9.800 9.604 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 -0.549 -0.044 -1.842 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 -1.432 -7.297 8.975 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 15.070 0.329 0.438 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 -0.520 2.366 1.589 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 -4.792 -1.731 2.013 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 -11.107 -6.923 1.767 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 0.008 7.568 0.257 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 -4.246 -23.958 -1.617 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 0.149 -11.125 15.144 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 -0.636 3.365 3.283 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 -3.637 -3.949 37.994 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 -7.869 20.851 -22.374 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 -1.928 2.681 -0.004 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 -13.562 -7.266 1.670 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 -3.681 7.092 12.318 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 -8.857 0.489 -1.456 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 -5.443 -7.886 3.681 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 3.853 15.142 -8.927 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 3.059 2.900 -0.127 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 -22.697 -5.705 22.827 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 28.640 11.037 7.914 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 0.711 -5.587 -1.638 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 11.370 -8.471 15.975 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 -2.497 -24.068 -3.424 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 -1.073 2.722 5.076 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 4.911 12.023 -18.515 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 2.946 -1.454 -7.681 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 4.493 -2.433 8.009 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 -24.813 9.560 -11.872 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 15.677 -7.789 -14.543 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 0.791 -7.051 -5.019 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 9.014 -11.925 11.692 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 1.947 -23.482 7.685 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 2.019 2.766 2.889 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 -6.851 4.292 -13.664 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 0.117 2.381 7.190 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 1.140 5.959 -10.303 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 2.890 18.839 -7.659 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 11.959 2.104 -17.521 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 3.964 1.450 -0.975 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 4.030 -0.904 12.459 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 23.759 6.457 3.418 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 -5.413 0.592 1.074 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 -24.787 -5.359 -9.440 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 2.591 9.078 -1.511 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 -0.075 0.986 0.926 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 17.660 16.324 -37.836 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 0.991 17.024 19.925 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 1.979 -0.831 -9.932 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 -1.528 -6.382 -20.719 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 33.878 -7.751 -10.952 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 -3.054 -3.575 6.089 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 -8.887 1.568 -1.975 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 5.351 4.097 1.564 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 2.530 -0.280 -5.098 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 10.748 -14.575 -25.134 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 -15.422 -12.960 2.680 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 -3.229 0.114 1.224 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 -8.631 -12.307 -0.506 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 -3.257 1.417 0.096 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 7.450 4.525 0.530 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 8.213 6.334 -3.018 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 -6.415 15.925 9.555 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 -2.843 -2.101 -2.527 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 -5.326 -7.248 4.565 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 -3.509 -3.341 -8.464 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 -0.511 -3.547 -3.826 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 13.494 5.476 21.137 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 -5.920 -7.426 -17.591 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 3.800 -4.792 1.382 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 0.295 25.233 -12.791 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 -2.498 16.293 -5.181 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 -6.516 2.834 8.198 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 -22.781 -14.150 25.829 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 -17.905 3.900 17.104 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 1.840 -1.516 -1.809 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 -6.865 -23.437 -32.851 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 -11.232 -0.291 4.018 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 0.154 4.580 7.079 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 -1.017 10.521 7.785 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 2.703 -11.356 3.810 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 2.896 5.081 0.113 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 6.363 26.564 0.542 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 -0.537 0.365 -9.147 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 -4.315 -2.597 8.599 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 -12.858 4.127 14.645 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 8.353 7.660 -1.354 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 -2.283 -6.348 -2.153 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 7.185 -4.565 -4.283 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 -2.877 -18.879 6.805 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 -5.205 -4.481 0.210 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 9.211 -17.519 -4.295 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 -12.857 3.516 -0.268 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 3.996 1.717 -0.428 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 -8.165 1.891 -1.077 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 -4.631 17.093 -17.241 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 4.551 -0.862 1.306 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 -21.930 -28.235 7.152 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 5.764 14.014 -26.713 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 7.715 -6.195 3.601 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 5.427 -12.390 6.685 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 14.764 -25.124 11.476 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 -3.777 6.917 0.859 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 0.716 1.886 3.698 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 -1.643 9.806 -1.369 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 3.254 0.742 -3.144 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 19.689 6.249 -3.452 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 6.203 -2.373 7.778 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 -3.812 -2.301 -2.914 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 -10.177 -15.167 -12.189 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 -9.727 13.764 0.619 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 -1.722 3.555 3.276 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 -2.637 14.221 6.564 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 -14.183 -4.947 -19.315 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 -0.003 1.261 -2.006 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 -4.034 -9.494 -3.359 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 -0.822 -15.551 0.596 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 3.180 -0.325 1.099 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 -2.369 12.882 2.708 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 14.722 2.185 -6.708 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 0.900 -2.342 -2.650 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 2.526 0.449 -7.254 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 -0.916 -0.851 4.337 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 5.646 -3.978 0.790 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 6.502 -7.335 -5.508 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 4.642 -8.927 5.490 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 0.502 -4.217 6.584 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 -1.246 -3.211 -2.839 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 -1.838 -5.661 -0.372 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 -10.488 -1.751 5.825 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 -9.678 -10.828 10.436 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 -17.211 -16.559 0.123 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 -1.450 1.733 1.420 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 -6.107 23.978 1.089 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 -11.318 14.104 -24.046 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 -3.064 -0.876 -2.139 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 -12.814 -26.761 22.100 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 0.708 -8.161 -3.126 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 4.172 -3.856 -2.126 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 3.085 2.883 -2.590 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 4.796 -25.574 -1.051 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 -5.551 1.835 3.892 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 27.827 -9.892 13.999 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 2.571 -26.891 0.478 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 -3.003 2.364 -6.078 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 9.057 14.883 -13.925 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 3.383 -10.307 -4.858 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 0.684 7.340 -4.539 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 6.627 8.955 1.868 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 -6.752 8.547 5.599 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 7.065 -4.581 -1.569 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 -35.169 25.631 -9.828 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 -10.107 -5.693 17.245 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 2.864 -3.151 -0.733 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 3.960 -4.745 -6.249 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 9.093 -4.914 -7.949 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 -1.747 6.329 -3.805 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 -0.518 7.446 2.639 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 -19.984 13.015 -0.516 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 -7.106 -0.712 5.522 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 5.099 3.466 -12.983 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 -21.249 3.022 19.591 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 4.298 1.438 10.327 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 3.454 -6.102 36.995 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 3.852 -1.873 27.475 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 8.338 -4.916 2.291 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 -1.583 -6.755 -0.157 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 -24.194 -7.392 -3.134 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 2.379 0.444 -1.408 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 7.514 -10.440 -15.825 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 -1.636 10.147 5.065 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 2.130 -3.979 -1.459 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 -6.559 -17.445 -5.966 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 12.450 -0.465 -12.847 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 3.346 -2.725 2.349 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 2.484 -5.284 7.516 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 11.890 3.331 -5.921 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 0.122 -3.425 5.693 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 13.162 -6.279 2.020 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 -5.076 8.604 9.035 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 -1.461 4.259 -5.475 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 15.885 19.173 1.867 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 10.647 -9.640 -14.928 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 1.168 3.289 0.599 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 16.540 10.624 -8.791 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 -1.838 -6.603 -12.200 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 -2.832 0.958 -8.796 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 4.890 -9.181 -7.672 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 -8.139 0.373 3.066 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 -2.028 0.426 4.225 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 6.483 -0.712 -3.488 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 -7.158 -22.816 -14.060 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 -1.379 -4.348 -1.777 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 2.700 -12.206 -0.298 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 -6.297 -8.370 1.968 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 2.677 5.454 -3.439 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 -8.278 2.987 12.073 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 2.022 -18.867 20.258 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 2.663 -4.175 -1.277 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 -6.360 5.680 16.005 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 15.501 -2.765 -3.978 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 -0.017 0.476 1.232 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 5.163 -6.208 4.643 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 9.113 9.772 17.910 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 4.475 -2.249 3.701 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 -4.319 12.379 2.548 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 -4.611 -9.512 -7.050 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 -1.743 -1.821 0.868 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 4.152 -3.356 -2.492 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 -0.059 -2.566 -1.519 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 -8.454 9.578 -7.036 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 -10.436 1.250 -1.898 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 -15.014 2.878 3.732 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 -4.066 4.255 -2.606 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 -0.284 -15.913 12.484 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 17.245 3.182 -11.419 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 0.290 2.946 2.518 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 -9.278 4.199 -17.727 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 8.887 6.919 -6.190 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 -4.868 -3.875 -3.573 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 -4.242 -8.867 -2.680 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 -5.979 2.250 -5.902 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 5.223 -0.842 2.209 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 -8.659 4.955 -4.828 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 8.160 9.510 11.421 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 -5.068 -2.633 -2.952 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 -16.972 6.877 0.640 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 -0.437 7.754 -23.371 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 -9.196 6.621 -6.156 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 -6.626 0.144 2.893 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 40.383 30.100 -4.120 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 0.996 6.826 1.708 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 -15.159 -26.343 0.175 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 -8.262 -27.933 -10.877 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 -5.723 -4.133 2.407 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 13.824 16.551 16.130 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 -11.618 17.877 -9.510 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 -2.111 2.150 2.604 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 -27.097 -14.599 2.906 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 16.173 22.441 -4.042 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 0.161 -3.061 -0.425 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 7.177 -13.322 -4.220 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 -3.594 -5.006 -3.191 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 -5.817 4.084 1.758 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 -3.451 6.948 -0.073 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 -6.332 -0.332 3.471 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 6.622 -6.153 1.195 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 -10.472 -3.337 -18.094 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 9.842 0.703 -3.619 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 -5.249 6.869 -1.966 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 -26.434 -14.268 -13.971 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 -7.166 2.877 30.614 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 2.654 6.998 -7.481 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 -25.324 1.082 12.281 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 10.323 -6.965 -1.142 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 0.918 0.765 -4.452 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 -11.536 16.401 -1.334 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 -42.280 -15.210 -6.111 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 4.797 0.759 -2.995 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 -20.801 17.085 -13.133 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 8.508 -1.812 -1.933 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 -4.845 -6.823 -8.099 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 10.615 4.851 -4.131 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 6.538 -25.657 -2.724 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 4.569 0.616 -0.729 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 6.424 -4.637 -1.081 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 -0.120 -0.715 5.378 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 -0.891 3.728 -7.700 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 2.348 10.484 -16.660 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 3.908 -4.696 -5.050 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 -2.437 4.873 5.624 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 1.697 -7.757 17.806 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 1.933 3.956 8.995 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 0.883 5.278 10.497 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 -9.532 16.761 -3.746 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 12.948 45.704 -5.074 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 -5.794 -0.662 7.713 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 4.516 2.871 14.722 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 -22.556 -3.779 13.877 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 -4.510 1.677 -1.986 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 14.161 8.779 -3.115 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 -8.268 19.305 -34.464 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 1.267 1.158 -1.051 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 -16.398 -5.053 -4.613 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 -15.388 -8.208 -5.959 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 2.598 -3.245 -3.681 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 30.674 -8.886 8.797 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 -49.105 14.047 -24.195 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 2.896 3.049 -4.156 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 2.654 2.898 -4.460 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 -26.601 7.956 4.286 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 3.518 4.126 -0.829 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 -1.091 5.780 10.371 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 -11.063 -5.411 2.782 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 3.250 -1.185 2.745 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 -7.670 -4.839 25.972 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 3.750 -16.106 -3.729 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 1.831 3.634 4.648 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 -21.240 -1.331 -10.256 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 22.085 -15.835 23.168 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 -7.522 -4.987 1.378 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 10.943 -1.137 0.821 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 -24.443 -11.223 -20.939 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 -3.137 6.618 -0.462 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 19.026 15.360 10.068 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 -17.744 25.099 -18.247 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 3.318 9.410 -0.845 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 2.506 -4.775 23.920 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 8.570 -12.404 -20.376 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 -4.179 4.996 -3.946 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 2.835 8.841 -3.165 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 -7.691 12.159 18.203 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 -0.208 1.389 2.622 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 -11.851 -4.436 -12.386 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 -9.920 -11.139 13.455 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 -5.066 -3.845 1.352 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 -20.803 13.990 -5.283 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 -11.498 -10.437 25.171 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 1.632 2.147 0.153 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 38.789 -14.409 0.752 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 9.653 -24.125 -15.988 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 -6.033 -0.322 -3.658 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 -17.286 -16.926 -1.345 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 -3.256 10.687 -14.968 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 -8.084 1.831 5.885 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 -34.733 5.182 -17.519 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 -28.841 4.226 -12.054 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 -3.493 1.580 -0.481 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 5.738 -24.194 -14.215 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 -14.764 2.208 -3.889 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 -5.340 -0.905 6.828 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 -37.275 -17.463 8.373 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 4.612 1.776 -32.592 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 -0.497 -2.748 -1.493 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 11.476 -2.336 0.103 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 -6.317 -0.472 16.992 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 0.554 -8.594 1.629 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 -26.166 -29.310 -8.566 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 43.134 25.968 14.601 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 -2.237 -0.014 -4.442 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 -4.660 19.777 20.194 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 22.546 -19.444 11.008 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 5.600 -4.946 6.712 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 -1.623 53.679 3.224 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 -27.532 -11.217 1.533 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 0.915 1.877 -3.937 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 -1.316 -8.596 0.208 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 -15.007 6.639 -16.957 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 4.139 -1.122 2.454 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 -11.963 -3.025 14.429 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 -0.918 -17.488 -18.752 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 -2.677 -1.985 -5.290 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 4.030 -4.470 -22.797 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 -17.526 3.065 20.852 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 -1.548 5.209 -1.265 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 5.256 3.231 -14.565 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 12.320 -10.478 -0.226 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 6.765 5.903 -4.528 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 16.136 19.427 -17.799 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 -3.051 -7.057 9.616 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 5.820 0.659 4.019 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 14.690 -10.437 25.826 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 -6.204 18.073 -29.045 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 4.744 -0.027 1.387 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 13.872 -5.254 -6.205 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 -9.198 -0.311 -14.840 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 -6.173 4.239 -1.727 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 -0.360 -5.296 3.769 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 -0.133 8.545 0.054 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 3.898 -2.607 -7.988 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 3.918 -5.156 -0.917 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 -0.125 -2.050 -2.129 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 3.234 -1.435 2.106 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 -10.355 1.790 8.823 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 1.864 -4.669 12.623 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 2.735 -2.147 5.480 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 5.490 2.869 10.785 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 -18.356 1.628 12.341 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 -2.736 -3.209 3.481 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 -12.814 -18.047 6.332 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 -7.818 -10.974 -0.839 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 -3.867 5.756 -6.616 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 -6.247 1.436 -4.666 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 -2.385 7.752 -2.562 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 -0.222 -2.434 8.572 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 -6.133 -2.144 7.502 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 -0.680 -5.181 2.102 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 -3.211 -0.802 -0.445 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 0.371 -6.083 -2.544 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 1.234 -3.098 0.056 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 2.654 -2.609 -0.399 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 -8.526 -2.202 4.605 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 16.338 -6.654 4.802 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 0.067 -3.127 0.602 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 -8.995 -5.101 26.410 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 -15.171 12.934 -15.445 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 1.475 2.451 -10.275 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 10.269 -6.630 -22.364 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 -5.566 -1.568 24.208 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 -0.033 -4.556 1.627 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 -0.928 7.631 0.190 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 -14.587 13.790 5.436 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 5.898 -0.914 -0.155 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 8.998 6.458 -13.606 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 7.327 -1.028 13.023 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 7.738 1.274 2.045 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 19.711 -5.225 -10.089 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 15.598 -2.162 18.424 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 -2.703 0.910 1.855 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 9.123 -16.535 16.796 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 5.023 4.511 17.816 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 0.447 0.655 5.381 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 -11.644 -23.883 24.057 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 20.103 21.772 -14.250 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 -7.137 1.875 9.478 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 -4.778 -12.175 29.296 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 -22.803 -12.487 -2.410 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 3.038 1.983 3.211 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 1.550 -5.938 7.866 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 12.765 -20.042 -7.368 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 -1.492 6.798 -4.984 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 14.320 8.711 1.442 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 -6.965 -4.103 -15.408 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 6.293 -9.762 6.281 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 -8.138 23.659 3.363 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 3.242 16.297 -2.780 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 -4.641 4.590 -0.726 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 13.090 41.856 -28.507 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 14.763 -25.909 -2.503 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 -5.166 11.263 1.924 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 17.014 -4.947 -5.883 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 23.302 -3.857 -5.459 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 3.588 -3.378 2.562 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 4.041 -3.196 -1.312 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 2.831 -3.392 4.634 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 -2.596 7.524 4.738 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 -9.982 7.365 1.581 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 -0.456 10.379 3.631 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 3.391 6.011 0.203 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 2.274 1.253 -1.467 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 1.725 -1.039 -3.203 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 6.169 -1.932 -2.387 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 1.558 -16.217 -6.467 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 -1.088 13.410 -4.387 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 7.533 2.273 5.004 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 11.246 5.612 -6.751 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 19.115 -14.190 28.653 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 3.507 3.834 2.585 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 -3.951 8.905 28.533 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 5.927 -8.845 10.902 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 1.134 2.276 1.856 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 6.648 0.233 -8.024 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 -1.036 7.350 -6.328 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 -4.663 -3.757 -2.686 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 -21.133 -1.678 -4.752 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 4.814 -8.305 -3.384 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 -4.869 1.765 4.662 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 6.321 12.305 0.508 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 -7.149 -12.266 -6.524 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 -4.495 0.882 5.157 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 2.714 7.606 7.482 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 -6.017 -1.053 5.724 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 4.576 -6.828 0.095 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 2.910 -14.353 -1.770 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 -4.679 6.856 8.913 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 3.921 6.661 -0.915 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 31.216 -11.820 11.727 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 9.550 7.674 -3.950 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 -5.629 0.549 2.914 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 -5.495 3.123 15.041 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 8.474 -6.526 -7.470 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 2.869 -0.727 1.959 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 -14.388 -22.740 19.141 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 -3.953 1.713 0.374 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 -0.611 -8.309 -5.350 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 -9.326 12.616 16.007 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 -0.571 11.241 2.361 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 -1.090 -1.020 -5.134 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 -13.516 -6.517 1.495 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 10.077 -0.435 0.273 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 5.732 1.693 -0.357 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 9.142 -6.493 18.582 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 23.406 3.199 -9.823 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 -0.402 -7.017 -4.029 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 -11.398 -1.438 21.055 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 -13.485 -0.970 5.853 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 -4.972 -5.838 8.531 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 -4.572 5.367 4.457 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 1.091 -5.625 19.687 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 1.844 -0.603 -3.310 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 -0.840 -11.298 6.403 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 -21.959 17.832 -0.750 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 -1.573 0.995 0.626 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 -8.693 6.144 -17.486 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 16.766 -11.336 -6.668 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 -3.947 1.415 -0.541 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 -0.636 3.990 -5.683 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 -5.285 0.559 0.085 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 -0.003 7.850 -0.488 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 -9.854 8.734 -8.246 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 -6.498 3.206 13.406 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 1.274 -1.543 -0.517 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 -14.346 -8.065 -2.139 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 -8.449 4.360 4.526 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 4.063 10.350 -4.218 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 -4.328 30.399 2.643 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 17.906 8.197 12.139 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 -0.677 -1.596 9.191 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 0.294 7.967 -1.469 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 -0.791 -10.558 2.866 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 -2.461 1.836 -8.367 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 9.200 2.295 5.282 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 -16.195 4.739 -17.158 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 2.678 0.980 3.395 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 9.975 4.273 7.704 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 11.115 -3.418 27.129 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 -5.372 7.598 -12.896 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 -8.594 4.032 -13.578 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 -1.891 7.140 -13.711 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 3.217 0.152 -5.778 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 -5.143 -17.780 19.795 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 -8.011 7.655 -17.110 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 -4.366 -0.612 8.260 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 6.790 -6.761 -2.310 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 -6.372 12.604 13.835 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 -0.679 6.660 2.093 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 3.030 -12.299 -4.463 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 -6.275 7.777 5.444 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 3.260 0.090 3.855 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 -5.075 6.569 11.011 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 0.448 2.910 10.270 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 -6.356 -1.410 5.864 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 -14.143 -41.466 6.268 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 1.474 -5.290 20.596 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 5.253 -5.486 -2.435 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 16.133 -3.017 -0.102 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 22.812 -4.614 9.572 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 4.697 -2.403 6.947 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 -2.666 8.905 -0.425 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 -15.109 -1.293 -5.275 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 -2.288 0.132 3.679 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 -7.114 2.082 8.115 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 2.433 -12.603 16.810 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 -2.318 2.611 1.373 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 -11.715 -5.600 5.128 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 14.715 -15.731 -9.176 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 1.711 5.271 5.225 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 -3.440 18.396 -1.841 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 15.799 9.169 -4.518 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 -0.626 -3.544 3.415 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 -12.609 -9.398 -12.761 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 -19.564 3.170 1.175 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 -0.511 -1.780 -7.908 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 0.016 -1.536 -7.139 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 5.974 -10.983 -0.001 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 3.842 7.048 0.567 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 2.351 6.410 5.869 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 14.853 3.511 7.245 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 -1.326 -2.215 2.247 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 -7.734 2.533 -3.043 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 -6.267 -8.830 7.432 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 0.865 -0.020 0.422 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 9.194 -5.929 12.793 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 9.752 4.116 25.303 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 -4.547 -0.655 1.546 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 -4.919 -17.474 -6.415 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 21.306 -3.687 -0.441 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 1.203 -2.037 -10.669 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 10.937 3.891 -1.097 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 -20.759 -7.061 -2.473 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 -0.874 0.267 3.241 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 16.481 -4.246 -11.539 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 10.192 2.476 -0.708 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 6.187 0.578 -2.271 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 7.377 0.785 17.699 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 -18.757 10.041 -5.903 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 -0.536 -1.977 -0.107 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 -2.702 7.273 7.755 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 24.225 4.603 -24.884 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 0.387 -1.632 0.924 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 -9.998 -0.062 -9.314 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 13.162 3.624 -2.560 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 -3.227 -6.266 3.583 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 -8.408 10.860 -3.460 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 12.073 -19.809 -14.487 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 2.111 -5.294 1.188 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 -7.036 21.585 4.229 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 3.559 2.326 2.461 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 5.063 0.267 5.753 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 9.763 17.333 -2.408 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 -13.991 -15.659 -4.600 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 2.393 -0.228 0.037 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 -12.487 -13.656 -11.872 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 3.619 2.429 8.816 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 -0.667 -6.813 4.400 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 -6.943 -13.169 -14.976 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 14.672 -2.966 -2.939 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 4.452 6.290 2.340 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 3.930 14.904 -1.934 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 4.642 -3.098 3.415 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 -0.978 -2.166 -0.613 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 -11.089 -4.669 -1.572 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 9.843 -4.570 -5.507 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 -0.448 -1.617 4.520 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 20.490 10.971 3.891 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 4.231 1.715 6.376 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 -1.990 0.912 -0.761 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 -29.497 -5.039 12.180 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 3.362 -1.270 -0.470 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 -1.395 0.181 -1.902 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 11.692 7.739 7.433 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 21.643 23.881 5.965 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 1.198 -2.485 0.154 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 2.883 -18.392 -7.267 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 2.180 15.462 9.182 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 -0.763 -10.158 1.825 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 12.568 -0.202 1.839 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 -9.608 -12.912 -15.508 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 11.686 1.509 1.231 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 -9.885 -2.806 12.674 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 -26.813 -3.633 22.855 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 1.399 1.847 2.291 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 8.283 7.795 -23.648 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 -1.812 -7.533 4.403 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 -3.785 2.662 6.670 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 -2.832 -9.755 -5.282 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 7.002 -2.559 18.655 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 2.783 4.168 -4.374 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 20.137 -5.869 -3.734 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 -1.811 10.460 -14.633 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 1.221 -2.834 -5.923 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 -19.988 9.612 -12.951 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 27.056 -14.817 4.396 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 -2.498 1.258 -4.573 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 -15.779 6.160 -25.247 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 13.831 -1.604 -21.813 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 4.897 -4.918 4.179 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 -4.695 -2.277 -3.092 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 2.382 2.214 16.513 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 -5.432 3.026 -0.866 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 -12.484 10.982 0.264 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 0.445 -5.752 -1.517 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 1.864 -6.696 -0.100 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 2.949 7.460 4.464 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 8.194 -10.961 -9.164 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 1.940 3.967 0.837 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 -0.858 14.799 -7.335 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 -10.853 -3.842 20.303 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 4.964 -1.350 2.877 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 26.371 6.203 -9.582 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 -11.520 14.852 -8.713 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 4.150 1.861 -2.832 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 -5.770 0.859 0.745 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 9.827 0.572 -5.806 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 -4.501 -8.108 5.961 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 11.856 -38.046 -18.948 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 2.215 2.963 -12.084 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 1.225 -1.503 1.190 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 15.258 3.499 -14.077 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 4.116 -25.964 25.181 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 -2.748 -11.177 6.671 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 0.333 -17.485 17.219 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 -21.250 10.933 -12.440 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 2.363 -0.629 0.833 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 1.256 -1.014 -0.979 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 5.591 -3.363 -18.831 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 -1.627 -3.316 2.772 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 -13.617 7.926 -6.861 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 9.070 -13.111 -10.303 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 2.748 1.203 -0.878 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 -7.987 12.331 -6.879 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 17.810 14.593 0.050 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 -0.021 -1.070 -5.346 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 -12.186 6.377 -0.034 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 -1.299 2.169 -5.160 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 -5.122 0.052 -4.829 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 -11.024 -15.471 12.225 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 -17.597 9.973 -8.962 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 -6.612 1.708 0.872 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 13.665 -6.307 -0.846 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 -5.047 7.167 15.497 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 0.625 3.835 -1.191 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 -10.873 29.304 -6.735 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 26.321 -2.001 -2.880 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 2.098 -1.753 5.671 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 -5.964 -17.149 -4.253 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 2.870 2.801 4.596 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 -0.011 1.265 3.105 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 2.033 -1.159 1.579 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 -13.137 -9.903 4.917 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 4.337 -1.479 3.128 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 5.990 -7.667 12.569 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 5.651 9.235 5.955 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 1.542 3.423 5.921 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 14.644 -7.166 -0.260 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 16.313 -8.030 -0.529 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 -0.155 -3.369 10.372 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 8.637 -10.847 10.830 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 16.813 -4.037 -0.943 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 8.450 4.413 -2.098 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 -4.807 -22.328 7.645 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 4.903 1.597 -4.423 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 5.389 -1.414 7.295 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 3.245 4.063 17.884 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 5.799 -1.939 3.823 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 3.232 1.658 -1.376 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 10.039 -3.083 -5.217 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 4.918 -2.819 24.897 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 -2.245 5.701 -0.021 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 -10.938 3.799 9.493 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 1.886 7.501 -4.198 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 -1.141 4.252 -5.951 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 16.238 -13.527 13.886 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 -13.294 0.290 9.563 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 3.197 -5.123 0.717 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 -2.171 -10.127 -7.766 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 5.429 -15.344 8.905 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 1.408 -0.533 -1.545 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 -2.146 -4.529 -3.239 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 -14.660 -7.030 -2.892 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 1.922 0.251 1.218 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 15.065 -18.128 -10.020 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 -9.720 -3.533 -5.203 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 8.078 3.226 -1.497 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 -2.455 7.757 11.085 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 15.038 9.098 0.841 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 -2.812 -0.438 5.496 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 12.531 20.685 -7.603 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 -15.302 2.157 6.996 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 1.108 -4.290 1.677 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 16.350 0.783 -25.352 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 -3.163 -6.357 9.650 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 1.871 4.104 -5.965 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 -27.007 6.136 2.901 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 -32.038 5.272 2.720 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 1.016 -2.199 -2.217 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 -2.468 0.025 -11.709 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 1.548 -1.762 0.096 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 -2.731 -4.954 -0.908 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 11.498 -4.912 -4.560 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 -2.166 -1.736 12.960 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 -5.557 -0.598 -0.439 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 16.371 -2.503 -6.969 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 -13.935 -9.014 -4.282 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 -1.761 2.618 0.420 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 -3.593 -9.242 -18.187 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 6.919 16.076 -3.809 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 3.350 0.040 4.868 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 -14.783 -22.153 -16.634 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 20.429 -18.776 25.738 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 -1.984 -3.441 1.156 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 -2.415 -10.298 4.601 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 -16.256 7.182 2.733 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 7.543 -6.918 -5.935 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 -0.838 -20.647 -15.299 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 3.196 9.169 15.197 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 1.093 3.594 3.145 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 9.635 15.084 8.105 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 -3.278 0.813 20.341 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 1.173 -2.471 3.311 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 8.228 13.968 -15.338 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 5.107 -13.378 -10.522 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 -4.517 0.725 3.541 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 2.091 1.800 4.404 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 4.326 7.095 -3.114 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 -1.917 3.094 1.009 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 24.649 16.547 -4.042 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 4.316 10.501 -1.401 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 -3.736 0.430 -5.380 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 2.476 -7.939 13.864 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 -15.404 18.320 0.319 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 -4.518 1.964 7.597 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 -0.847 -27.988 11.299 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 -27.902 -12.420 9.730 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 2.282 1.223 8.880 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 11.138 0.433 8.100 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 -9.740 1.542 6.509 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 2.262 1.210 -6.060 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 -1.132 14.639 13.519 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 17.054 0.973 -13.071 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 -3.109 -4.981 -0.455 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 -4.374 -6.643 -15.005 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 -1.250 -3.543 8.597 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 -3.651 -0.234 -0.987 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 -1.504 5.471 -6.581 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 -28.844 17.261 16.507 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 -8.137 -1.151 -2.689 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 -6.426 6.674 -2.709 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 4.638 -0.173 3.339 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 5.614 -3.627 -2.475 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 18.512 -24.384 7.944 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 3.590 -3.998 12.748 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 3.109 -1.969 -0.736 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 14.095 -18.483 4.932 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 -4.418 -0.780 12.804 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 0.082 -0.428 1.540 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 -3.204 4.520 -1.658 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 -3.058 -9.984 -3.705 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 7.931 -1.996 -2.459 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 -11.099 6.022 25.488 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 -5.452 17.005 -0.630 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 0.365 1.212 -2.160 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 15.302 -9.527 -3.787 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 -11.876 -5.804 -4.264 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 1.889 -3.161 0.792 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 3.912 -6.000 16.440 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 3.757 -10.487 22.498 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 -2.839 0.798 0.643 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 -3.677 2.124 -11.097 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 -10.699 17.631 -3.429 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 0.531 4.872 -0.661 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 4.187 0.909 3.011 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 14.987 -8.368 -11.730 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 -0.145 -0.809 2.560 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 1.563 16.500 3.860 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 -25.423 0.888 17.063 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 -2.236 2.975 2.224 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 -3.521 9.080 1.202 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 -14.906 3.072 -0.680 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 -0.453 -0.954 -3.440 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 -13.538 15.376 17.650 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 -9.300 11.999 7.912 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 3.956 -0.548 5.018 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 7.614 -6.692 -11.629 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 19.791 -7.507 -24.754 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 4.969 2.342 1.100 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 -6.809 27.325 11.160 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 1.236 13.836 10.180 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 -3.579 -2.263 6.507 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 -0.080 -25.441 -7.125 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 -4.654 -3.718 8.308 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 4.689 0.574 -0.199 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 -28.268 -25.538 -1.110 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 8.741 4.674 8.857 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 -4.309 1.083 3.197 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 -21.061 -16.026 -25.137 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 30.357 0.562 -2.772 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 1.867 -2.551 0.384 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 -12.313 0.657 -25.643 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 0.067 25.172 14.899 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 -1.116 1.992 3.754 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 -12.537 17.588 -8.255 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 -0.374 -18.194 -7.998 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 -5.701 6.507 -0.861 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 -8.424 12.411 17.727 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 -12.281 7.347 -7.806 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 -2.142 -2.986 -2.214 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 7.627 4.387 6.238 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 -12.376 -8.246 6.736 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 1.032 0.410 10.839 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 11.525 -1.842 7.504 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 -7.985 16.475 -11.298 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 -6.297 0.873 -1.070 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 -0.624 -3.918 -15.181 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 -12.554 12.306 17.536 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 -3.608 5.941 4.338 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 -7.686 5.173 15.644 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 -7.934 -11.413 12.304 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 -5.235 0.859 -1.204 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 2.307 10.159 24.005 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 -21.571 -3.220 -4.542 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 -11.003 -0.135 5.405 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 -4.201 -8.718 14.606 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 -8.551 -6.948 7.975 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 -0.990 -3.318 -2.895 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 13.014 -13.539 18.891 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 16.736 13.260 -23.865 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 -2.883 0.990 -3.826 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 3.012 -3.472 -4.190 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 4.969 -3.729 27.473 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 3.092 -2.400 -4.461 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 1.693 -6.220 -0.549 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 -9.170 -6.501 11.098 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 3.930 -8.351 3.552 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 6.309 1.331 -15.997 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 -2.873 1.177 -5.663 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 2.350 2.372 -0.067 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 11.219 -2.370 2.327 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 -13.728 -8.538 15.003 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 -2.198 -0.141 4.594 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 -7.192 -11.103 -1.293 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 -15.122 -6.833 3.860 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 -2.850 4.112 -0.911 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 -2.582 1.447 -9.361 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 14.904 5.405 -2.135 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 0.978 2.686 2.696 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 -11.269 2.304 14.090 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 -6.103 -3.854 9.667 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 0.124 -0.974 2.548 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 -15.200 19.313 -7.920 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 4.161 5.683 7.827 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 0.573 -0.206 -0.270 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 18.083 -5.534 -5.791 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 20.373 -5.569 -7.544 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 2.178 -4.784 -3.341 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 20.180 -9.996 -7.188 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 0.926 3.118 8.408 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 -4.073 1.740 0.398 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 -15.721 -12.114 -7.049 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 2.505 5.805 -6.653 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 -8.701 -0.634 -1.581 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 1.572 10.744 20.593 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 11.744 -3.021 -8.309 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 -8.954 0.287 -0.563 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 3.011 2.810 3.875 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 -11.735 -8.640 -16.823 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 0.206 8.469 1.635 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 -17.033 -26.214 -17.850 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 3.735 -31.510 -0.331 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 -3.876 5.553 12.424 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 7.265 2.508 16.538 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 -8.569 5.664 19.292 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 -1.518 -0.369 -2.448 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 -17.770 10.596 -3.931 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 -3.447 -13.656 3.910 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 6.027 3.775 0.486 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 13.811 11.910 4.464 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 6.035 14.754 1.289 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 0.516 -0.362 8.571 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 23.415 -16.785 19.819 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 -13.806 -15.447 -0.840 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 1.267 9.016 -0.569 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 -4.274 20.096 1.235 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 3.553 16.776 4.950 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 1.845 2.185 -8.563 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 -12.203 6.779 4.843 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 -4.417 4.999 8.662 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 -1.524 -2.274 2.826 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 -2.324 -8.783 1.866 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 6.343 8.845 -31.768 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 -3.332 -0.668 1.833 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 -0.104 3.155 -0.418 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 -0.653 3.304 -5.147 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 -4.103 -6.645 3.156 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 15.819 -1.995 -8.601 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 0.575 10.356 -3.869 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 -1.646 -0.629 0.450 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 -26.530 21.172 -0.129 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 -13.681 -5.057 37.459 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 -1.123 5.598 8.643 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 -0.116 14.814 -7.441 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 9.152 -5.469 16.933 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 -3.369 -0.056 6.617 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 -2.364 -4.657 -8.004 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 18.963 21.894 -21.031 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 4.996 -3.728 4.333 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 -12.872 -6.086 12.354 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 11.005 -3.855 -0.732 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 6.141 -0.627 0.342 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 6.533 -2.548 4.643 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 1.578 2.697 -7.013 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 0.548 -3.473 -1.139 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 4.543 -19.020 -7.979 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 -8.071 1.749 -9.096 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 -1.256 0.516 -0.106 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 -5.323 -4.556 -11.095 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 6.762 -7.665 4.117 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 3.562 0.804 3.457 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 16.958 -4.116 -3.398 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 6.475 15.321 -1.839 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 2.311 3.411 4.227 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 7.807 -1.449 2.693 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 -2.631 6.843 7.236 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 2.791 0.359 2.218 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 -7.455 -1.396 9.450 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 13.604 -9.795 -8.526 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 4.192 -3.976 -2.762 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 -2.649 1.006 -6.679 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 -1.835 2.616 -3.458 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 1.386 -1.060 9.165 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 -18.465 -4.327 -3.731 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 -20.328 -8.022 -8.887 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 -8.738 5.965 -3.508 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 -1.467 24.706 9.002 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 -12.280 -12.071 -3.363 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 9.589 1.776 -2.248 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 -8.903 -10.247 -14.830 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 -2.191 -14.252 2.256 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 -7.016 -2.349 2.731 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 -15.922 2.013 5.050 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 0.367 6.166 7.657 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 -1.245 10.636 3.766 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 -0.670 18.791 15.054 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 -3.236 9.275 11.963 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 -4.747 -7.747 4.461 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 -26.811 -4.806 21.147 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 -9.463 7.199 -3.928 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 4.175 -2.580 -2.275 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 11.645 -4.374 10.024 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 5.598 -15.230 -9.234 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 -1.396 5.500 0.422 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 0.811 2.629 -0.938 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 20.600 -5.587 -2.974 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 3.889 2.918 -0.533 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 2.946 -4.162 -5.390 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 9.668 16.834 7.767 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 2.099 1.079 5.440 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 11.310 13.372 2.337 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 6.487 11.489 3.571 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 1.222 -3.958 -4.435 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 6.593 -10.470 -1.654 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 -1.199 -2.696 -8.449 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 -6.608 0.611 -2.202 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 -3.582 7.606 -0.040 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 -13.779 5.007 19.346 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 2.687 -0.892 0.391 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 11.375 -8.875 12.973 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 9.965 17.374 1.509 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 -2.284 1.425 -5.047 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 -0.692 -12.840 14.124 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 -7.075 11.089 10.646 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 -4.369 2.489 -5.806 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 0.513 13.379 -11.256 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 -0.944 12.232 -12.021 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 2.536 -7.051 0.509 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 -3.556 -2.871 -1.494 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 1.167 -4.639 -1.009 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 -7.308 4.132 -0.736 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 -11.629 -13.240 1.558 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 -8.722 -9.926 6.110 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 3.003 -2.783 -3.370 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 8.599 -1.684 10.026 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 12.611 -9.970 -0.121 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 -3.742 0.852 -5.816 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 -11.167 -4.631 13.754 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 6.206 8.854 4.619 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 -2.950 -0.642 -2.447 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 11.433 -12.703 5.110 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 4.873 18.515 12.782 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 4.965 2.078 -1.461 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 -1.746 -0.863 -7.756 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 6.168 10.271 18.501 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 -4.768 -2.239 2.285 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 -5.089 5.911 -12.376 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 1.690 -0.421 -15.138 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 -5.226 9.176 4.089 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 -12.109 -22.918 -7.093 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 -26.207 17.573 11.164 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 -1.383 3.662 -0.168 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 -0.032 -17.579 0.842 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 -2.859 21.964 -4.148 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 -3.777 11.683 6.076 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 -4.745 13.428 32.632 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 -14.024 3.514 -31.324 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 -6.099 -3.406 -6.583 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 -2.219 -13.065 -13.969 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 -5.836 -8.702 -8.348 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 0.290 2.388 -1.122 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 22.737 -0.434 7.702 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 -5.738 -15.959 6.318 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 3.886 4.992 -4.230 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 0.775 26.088 18.462 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 -2.820 -10.527 4.380 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 2.842 -2.511 0.078 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 0.413 13.313 -6.930 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 -1.269 9.184 -1.617 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 -12.827 1.665 -4.991 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 43.232 -6.260 -8.363 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 -6.628 15.073 -6.816 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 -1.504 3.918 -2.576 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 4.055 8.002 6.354 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 7.241 13.353 2.436 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 -6.122 1.509 -0.875 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 1.207 -3.355 -3.499 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 10.735 1.250 -10.304 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 0.499 0.962 6.300 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 51.304 -22.168 5.607 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 -25.495 -6.782 -0.536 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 1.865 3.619 0.273 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 -1.802 6.922 -4.099 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 13.467 5.010 -3.937 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 -6.980 0.336 -3.293 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 5.467 -10.658 -6.697 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 -14.980 -4.463 -15.108 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 -1.782 4.910 3.077 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 -6.077 10.529 3.502 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 4.271 -3.135 9.090 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 -6.894 -3.118 -1.001 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 4.487 -7.567 1.441 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 0.477 -20.987 11.352 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 1.214 -2.139 -3.831 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 -8.412 -5.228 -21.074 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 -18.670 -22.126 -5.713 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 2.974 -1.966 -2.290 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 9.555 -10.932 -20.872 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 4.341 -19.359 12.012 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 -0.699 -1.376 -1.068 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 -3.904 5.985 -4.887 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 -9.369 5.545 1.830 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 7.439 -5.163 2.988 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 6.821 3.464 1.938 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 -6.812 10.708 -17.502 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 0.680 1.997 4.616 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 -5.023 -0.633 9.313 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 4.327 2.013 -1.188 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 -5.401 -2.114 -5.618 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 17.706 -14.592 -2.395 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 -22.114 9.037 -11.604 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 9.076 -0.829 0.766 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 -3.560 -25.571 -4.159 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 35.743 -20.391 13.172 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 -3.079 -0.389 8.314 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 6.914 14.734 7.803 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 -3.140 4.463 11.387 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 0.657 9.833 1.687 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 -29.307 -6.393 -8.926 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 -20.098 0.349 -1.949 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 2.610 -10.520 2.939 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 4.750 -9.728 0.802 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 21.750 -14.735 25.232 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 5.898 -0.968 5.313 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 -14.225 -1.131 -19.380 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 3.966 16.887 3.383 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 -4.723 4.890 -1.509 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 -6.156 5.740 -2.501 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 -8.412 4.446 -0.865 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 -2.859 4.609 -3.427 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 -1.494 -4.597 -1.231 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 -11.053 10.591 -1.550 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 1.687 -3.542 -3.519 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 -23.337 16.376 -27.215 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 18.867 -5.194 2.968 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 0.398 1.943 1.623 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 11.573 2.970 -1.872 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 -6.937 -11.464 0.755 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 -0.524 -2.282 5.760 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 -1.182 -2.367 5.958 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 8.056 -8.021 -9.490 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 4.752 1.381 6.350 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 -20.297 -34.052 10.482 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 -12.284 27.762 7.970 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 4.165 -2.322 -1.505 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 8.244 31.241 -11.248 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 -17.419 -2.146 21.729 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 3.492 6.590 -6.584 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 22.699 9.935 -5.889 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 25.912 2.194 -31.123 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 2.335 -5.079 -1.108 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 5.345 -7.736 17.993 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 -6.372 -31.143 -6.156 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 1.705 7.794 0.396 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 20.775 -13.274 -10.183 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 20.000 24.486 1.622 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 2.343 2.594 -0.878 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 -3.874 16.777 5.813 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 10.513 -6.749 1.368 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 -5.923 -0.451 4.801 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 -4.372 -24.579 -5.379 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 -4.607 3.107 3.983 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 -2.293 6.608 1.106 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 -21.874 -20.838 -1.592 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 21.383 -9.940 28.179 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 10.054 -5.300 -0.187 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 14.058 11.184 -14.007 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 0.511 4.984 0.720 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 5.579 -0.826 -3.796 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 15.825 -12.244 -15.687 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 2.358 10.903 4.299 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 -1.176 3.302 -0.554 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 18.745 -12.314 8.126 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 -14.197 -13.776 -6.903 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 -1.445 0.005 4.021 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 -2.150 -3.058 7.819 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 -1.278 1.587 -3.642 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 1.986 7.048 -3.512 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 5.630 30.312 21.970 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 -9.648 28.721 4.466 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 -2.755 -2.615 4.634 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 18.276 7.786 -15.737 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 -10.660 2.190 6.772 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 1.322 0.066 -2.209 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 11.525 18.410 7.448 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 -4.930 -15.575 19.088 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 0.208 0.968 1.808 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 -28.928 -4.715 -7.218 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 -1.404 7.135 -7.538 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 0.483 -1.309 -0.337 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 0.853 4.210 -3.802 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 -2.684 -3.773 -0.118 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 0.463 2.396 -1.958 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 11.902 5.858 -15.218 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 -4.362 -15.802 23.482 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 2.779 -1.079 3.511 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 0.726 4.779 7.020 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 -1.001 7.454 -4.472 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 0.763 -3.788 -1.646 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 3.428 -4.236 -3.647 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 2.691 -1.939 -0.527 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 -0.466 1.446 5.640 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 -0.916 -18.873 14.194 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 13.249 5.688 -8.156 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 2.550 -3.703 -0.498 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 3.330 15.145 10.555 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 -3.734 -14.726 18.578 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 4.242 7.416 -0.266 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 1.788 4.850 7.955 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 -1.413 -3.717 4.457 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 4.118 -0.509 0.685 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 -1.344 -13.662 -3.328 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 18.799 -1.951 -4.551 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 0.521 0.830 2.386 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 -2.286 -1.011 -9.652 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 4.883 -13.726 15.542 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 1.260 8.437 -1.565 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 6.037 2.927 4.960 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 8.516 12.241 -7.542 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 -4.281 2.769 2.952 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 -5.188 1.856 2.007 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 -1.308 -8.702 4.418 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 -6.397 -1.419 4.121 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 -15.400 2.603 4.222 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 -2.440 -1.977 1.044 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 1.576 1.787 0.152 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 5.984 -15.736 11.782 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 2.491 12.592 17.625 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 7.085 -4.451 3.361 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 -11.686 -15.524 25.098 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 3.439 13.931 22.623 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 -7.551 -1.803 -5.116 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 -10.123 -1.835 -2.895 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 -3.711 3.572 -7.152 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 6.061 3.110 0.651 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 -2.918 -6.650 -0.399 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 13.451 -0.457 7.426 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 -4.609 -2.942 0.383 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 -12.105 1.222 5.162 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 -3.022 -13.124 4.439 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 -0.921 -5.172 4.710 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 17.969 -16.040 16.892 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 -12.888 3.615 -5.425 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 -3.081 4.325 -4.195 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 6.576 -3.114 -6.675 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 -2.891 3.551 2.801 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 -0.696 0.884 -6.559 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 -4.027 -7.357 -2.298 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 10.515 -0.533 -10.069 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 -3.562 1.095 4.482 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 5.970 2.776 -16.860 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 -0.427 1.487 -4.749 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 4.084 -2.312 -3.302 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 26.110 -6.515 19.785 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 16.990 -2.011 -24.671 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 -2.763 -2.303 3.453 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 -4.717 -11.428 7.945 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 -5.612 3.841 -5.561 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 -2.421 0.459 0.395 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 -1.553 8.872 19.847 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 20.877 -12.691 -11.590 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 -0.865 5.479 0.431 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 -0.824 3.008 -1.474 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 10.852 3.797 12.268 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 -1.467 -2.099 0.823 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 22.116 -12.802 14.307 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 13.536 4.651 12.460 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 1.093 -2.761 -1.260 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 -9.758 -6.412 0.687 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 -6.503 -10.471 -0.118 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 -1.236 2.674 -5.219 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 8.426 11.680 4.914 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 -2.954 12.482 -2.058 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 -1.931 -2.477 7.241 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 6.614 -8.667 9.935 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 10.430 -5.940 6.572 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 4.557 0.723 -3.706 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 -2.822 -10.288 -10.578 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 -2.823 14.578 0.163 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 -3.920 4.957 -0.208 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 -23.055 -0.501 8.712 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 11.220 -6.536 1.894 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 4.495 -0.139 -2.783 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 4.517 -12.117 0.067 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 -0.578 25.455 -26.269 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 10.545 -2.399 1.946 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 -5.585 -4.487 10.400 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 -9.467 -5.093 11.103 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 6.227 -2.755 2.723 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 5.543 -2.325 5.567 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 -22.009 25.570 -11.498 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 10.662 -4.359 -0.737 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 19.272 -4.232 -5.921 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 11.152 -12.761 18.227 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 -0.335 -8.837 1.582 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 6.076 -13.776 -12.132 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 11.821 -8.194 11.710 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 0.703 -1.107 -1.075 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 -0.754 -0.102 0.626 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 1.190 3.299 -10.361 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 -7.256 -0.378 3.135 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 -2.415 11.482 10.787 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 1.802 -10.241 2.553 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 -3.434 -1.617 4.280 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 -2.575 -11.003 5.214 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 -2.634 27.692 2.534 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 0.314 -1.925 1.274 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 4.708 -23.674 -10.755 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 12.550 -1.054 14.802 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 -0.926 -2.279 -2.155 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 6.277 -14.500 16.088 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 -29.400 -5.170 -31.687 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 -6.329 -3.959 -4.255 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 -5.579 8.500 -0.598 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 -2.445 -7.531 7.999 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 -2.618 3.299 -5.486 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 22.740 7.313 -4.168 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 14.329 -11.711 1.532 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 3.322 -2.316 1.407 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 13.155 -2.362 4.263 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 -11.079 2.045 0.214 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 5.734 2.421 -6.557 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 10.692 -16.739 -11.885 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 6.437 21.172 2.575 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 1.952 7.071 -3.381 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 -14.883 2.598 4.094 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 2.654 4.749 -17.377 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 0.623 -1.399 1.375 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 -2.755 -0.780 -5.636 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 -16.383 12.068 -4.926 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 6.300 3.903 -1.352 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 6.103 5.923 -14.470 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 -26.063 -18.384 7.652 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 3.050 -2.546 0.534 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 0.726 7.022 14.162 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 14.029 3.063 -10.159 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 -2.233 -3.369 1.084 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 9.354 4.677 -10.087 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 -14.417 -13.904 -4.627 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 1.267 -3.564 2.027 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 6.765 -3.151 3.086 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 6.420 -0.836 0.273 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 -3.633 8.828 -1.535 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 6.550 -3.569 -2.983 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 -1.229 -0.072 -6.063 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 -3.368 0.706 1.562 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 -10.075 -8.284 10.761 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 9.783 23.163 12.765 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 -6.536 -3.535 1.069 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 10.945 -7.556 -14.343 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 -3.879 20.916 8.675 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 -4.135 0.072 5.801 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 0.973 0.571 -2.923 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 -2.432 2.491 18.217 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 -1.250 -5.861 -5.427 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 19.875 -5.712 18.411 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 -20.412 -3.228 -20.264 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 5.433 -2.039 -1.243 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 1.436 -5.236 2.212 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 3.775 -0.764 -5.790 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 4.371 1.290 -1.740 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 8.701 0.431 6.708 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 -13.420 4.718 -16.526 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 -2.144 -5.540 5.265 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 -14.569 -13.381 8.635 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 0.422 11.494 -15.168 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 -0.660 0.651 4.073 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 -7.671 3.589 -2.534 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 7.101 -26.681 -9.110 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 -0.762 4.265 -0.610 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 16.143 5.567 15.994 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 -6.878 -14.335 5.520 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 -4.932 -3.396 8.457 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 -1.186 -5.014 2.786 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 -4.338 -3.930 7.136 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 -5.787 1.306 -1.841 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 -4.123 21.191 -9.865 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 -3.400 9.061 -5.253 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 -1.384 -1.488 0.636 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 -20.999 2.759 1.197 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 0.412 22.421 -12.943 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 2.349 -2.890 -1.082 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 -1.196 -0.643 4.680 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 3.520 -5.145 -7.715 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 0.443 0.944 1.102 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 -29.822 10.800 -0.581 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 12.014 19.285 -1.351 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 -1.129 -2.278 4.626 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 -0.131 3.980 4.587 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 -0.281 4.292 4.880 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 -0.318 -4.395 -1.744 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 0.444 -8.905 -5.913 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 -0.491 -15.250 -29.442 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 1.949 -6.525 6.726 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 -2.597 -13.909 3.515 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 14.768 5.267 16.601 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 9.178 -4.576 3.114 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 -18.083 -4.134 6.318 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 19.375 6.700 19.651 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 -0.513 -1.859 -4.895 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 -5.194 0.298 -6.536 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 21.965 -10.052 7.370 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 2.626 5.291 -1.178 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 -13.577 5.475 -9.666 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 9.942 2.127 4.022 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 2.860 3.500 -1.591 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 7.214 -17.537 -8.623 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 12.021 -0.689 -16.103 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 -2.353 8.478 2.687 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 -14.153 -9.324 -3.633 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 -2.556 5.693 -4.281 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 1.903 -5.695 1.406 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 -11.415 -18.120 -22.359 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 9.372 3.250 22.344 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 5.358 8.229 -14.180 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 11.376 33.892 4.441 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 -5.618 -0.810 -7.862 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 0.394 -4.552 -1.590 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 1.953 5.346 -0.936 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 -11.329 -2.787 2.879 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 0.097 3.279 -3.524 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 -29.773 15.590 7.076 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 19.994 7.726 18.649 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 -5.028 -1.588 3.795 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 -0.695 5.887 -17.251 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 -5.361 2.503 4.723 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 -0.234 -3.391 2.658 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 24.157 -2.488 6.713 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 -13.895 -5.588 -0.140 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 -2.455 -0.087 1.218 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 -0.335 10.184 5.764 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 -2.244 -3.655 -3.757 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 3.339 0.950 3.304 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 9.198 -15.820 -17.377 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 22.851 14.515 19.960 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 4.559 -3.378 -5.372 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 -3.739 -8.636 -5.706 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 -17.162 -14.671 -2.479 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 -2.641 -2.183 -3.937 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 -19.312 8.826 0.935 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 6.003 -14.066 -12.645 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 -7.265 -7.570 1.898 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 -7.913 -7.819 -12.723 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 -29.827 0.171 8.839 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 -6.840 4.727 5.379 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 -1.777 -38.479 12.260 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 -6.790 17.212 -19.218 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 1.656 -1.980 1.499 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 -4.047 -14.347 -1.954 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 5.161 14.005 30.861 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 6.743 -5.032 -3.968 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 9.466 -9.691 -8.113 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 -3.956 10.506 4.303 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 -3.506 -4.853 -1.675 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 -1.751 -1.321 -13.948 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 -2.344 7.143 -18.029 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 5.514 0.078 1.059 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 3.906 17.767 5.544 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 15.472 -3.738 -8.206 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 -3.446 -3.174 -3.856 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 -9.930 15.577 8.368 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 5.523 -11.399 -11.927 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 4.773 4.690 -3.013 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 2.082 -6.797 -15.206 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 -9.333 2.557 7.680 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 -2.243 0.143 1.912 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 -12.521 14.338 13.932 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 5.952 -8.062 -7.748 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 -5.690 -7.857 0.896 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 8.727 8.817 6.292 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 -36.856 -13.481 9.601 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 0.935 1.870 4.251 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 -12.129 -30.599 -1.247 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 -5.875 -30.186 -22.590 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 -4.748 -2.750 3.033 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 12.038 -9.547 -21.508 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 2.636 -8.615 32.420 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 -0.311 10.182 -3.043 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 -9.523 7.804 -15.014 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 -4.346 10.287 -24.958 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 2.836 -4.329 -0.847 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 16.756 4.055 4.975 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 5.012 -20.308 -6.453 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 3.722 0.494 -1.856 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 20.453 1.945 -26.853 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 11.784 0.718 -15.662 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 3.308 -3.711 0.498 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 0.515 -6.935 10.130 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 7.793 -9.135 -11.867 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 -1.859 -1.961 3.242 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 0.851 -2.180 -23.303 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 9.207 -4.770 -9.708 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 -1.608 5.712 2.057 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 1.278 -0.460 -0.802 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 -11.735 8.884 -4.018 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 -2.959 -12.571 -3.859 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 0.629 -5.246 -12.355 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 27.007 -15.341 6.595 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 -2.238 -0.631 1.321 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 32.770 1.005 0.483 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 -13.552 -10.868 -19.464 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 3.637 -1.721 -8.848 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 10.351 17.081 1.960 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 -0.016 -5.518 19.697 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 -1.489 3.961 0.052 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 -2.681 -2.262 11.268 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 2.642 20.301 -11.100 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 -0.322 -0.976 4.273 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 1.198 2.330 0.346 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 13.503 -21.539 -11.291 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 3.380 -1.689 -0.483 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 -8.122 23.335 -6.374 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 2.101 -27.096 3.325 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 -5.064 -0.994 3.673 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 6.390 -15.704 2.197 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 2.038 -9.435 1.981 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 -0.353 4.355 3.638 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 -20.790 -11.289 4.891 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 16.393 -7.811 18.759 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 8.784 3.370 2.115 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 -6.824 17.825 15.671 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 -18.855 0.888 -0.176 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 -3.205 -1.447 -4.989 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 -18.107 -22.729 -20.773 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 -17.969 -13.013 -5.570 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 -3.189 -2.871 -0.695 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 -15.511 13.298 3.865 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 -5.453 -12.585 -25.946 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 -0.582 1.979 -1.935 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 13.683 -7.377 0.056 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 -30.422 21.807 -6.711 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 -2.739 -5.562 -3.668 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 6.817 3.807 -3.622 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 0.321 -0.978 -20.498 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 0.384 5.293 -3.865 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 -6.059 2.132 7.082 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 1.540 -13.574 -9.138 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 7.539 -1.624 -5.128 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 1.394 -5.528 0.254 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 -8.210 -10.366 14.637 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 0.834 -0.662 0.722 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 4.413 -10.669 -2.210 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 -5.049 10.436 2.837 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 -4.044 7.957 -5.071 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 12.979 11.006 8.920 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 -16.865 8.787 -4.112 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 1.905 4.369 -2.126 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 0.487 7.953 -7.776 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 -3.010 -5.073 2.913 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 -1.413 -5.163 -1.203 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 4.912 -12.286 3.099 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 -25.266 27.135 6.683 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 2.972 -1.264 0.816 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 21.797 -13.107 28.951 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 4.198 11.383 -8.560 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 1.793 0.184 -3.773 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 22.785 0.735 2.766 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 -4.007 -12.767 7.029 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 0.260 1.150 1.290 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 -13.337 -16.165 -0.561 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 -34.674 -13.100 -9.538 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 -3.630 -6.297 0.507 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 8.478 13.613 -5.868 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 9.565 1.634 9.354 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 1.882 2.604 0.116 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 2.223 -11.018 13.172 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 3.383 -14.550 -0.634 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 -0.949 1.225 1.313 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 33.123 27.072 -25.839 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 -3.516 -6.237 5.760 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 -2.493 -1.671 -6.363 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 8.867 -0.305 6.912 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 3.589 -10.531 -6.339 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 0.239 -3.943 -3.378 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 4.936 27.548 28.734 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 6.649 -0.543 16.100 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 1.466 -3.042 -1.555 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 -4.723 9.076 -10.405 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 15.446 -7.465 -9.159 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 2.673 2.998 3.421 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 -0.871 11.820 12.391 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 -3.904 26.050 7.466 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 1.899 4.274 1.342 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 -1.794 -8.493 2.492 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 -8.704 11.445 5.015 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 -5.585 -1.005 3.648 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 7.514 -10.815 7.566 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 -30.972 17.103 -8.038 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 0.003 3.085 0.717 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 -3.444 8.285 -40.021 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 -0.154 -4.742 34.900 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 -1.247 0.691 4.401 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 16.084 1.258 11.129 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 18.456 -9.822 6.570 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 -3.392 3.363 2.701 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 -7.043 3.304 2.022 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 10.959 15.664 -25.061 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 1.544 -4.156 -8.995 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 35.833 -23.155 24.792 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 4.350 -22.258 16.366 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 5.687 4.241 -2.846 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 0.094 12.808 -2.441 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 -4.832 16.041 -10.248 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 3.891 -1.771 -5.943 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 21.082 0.512 -7.843 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 -2.597 -2.049 -5.660 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 -1.044 5.438 -2.610 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 -5.974 -3.319 9.044 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 11.012 -8.162 -2.437 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 3.650 -8.372 -3.991 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 1.601 -4.681 -1.678 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 -1.532 -9.841 1.764 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 6.086 1.703 -4.098 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 -1.839 -1.700 -7.551 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 12.957 7.355 -5.808 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 -1.068 -11.567 -4.507 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 -13.325 1.202 5.212 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 9.445 -19.186 10.506 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 0.040 0.412 4.129 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 -2.943 2.914 5.725 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 11.696 4.492 -11.216 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 -1.540 1.178 -5.369 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 -5.152 1.320 -8.903 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 14.331 -13.822 -7.130 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 1.321 1.711 3.431 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 19.785 10.497 -11.995 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 -10.464 13.823 -23.383 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 -7.297 -2.258 2.161 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 -8.956 4.317 -6.525 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 3.506 2.605 6.659 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 3.595 1.405 6.662 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 3.382 -6.868 -2.824 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 1.547 -9.341 5.052 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 -2.890 -1.002 2.707 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 9.167 -14.664 7.964 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 2.439 26.608 1.145 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 2.579 -0.492 5.150 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 -6.136 -14.737 11.185 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 3.708 27.546 -13.797 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 1.084 -4.590 -8.655 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 9.580 -1.941 -3.349 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 19.532 -7.100 1.096 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 -5.664 -2.775 -7.121 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 -11.067 3.301 -21.937 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 -1.715 -14.764 12.029 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 -1.749 -8.453 -2.520 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 -6.044 -14.824 -25.146 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 9.648 -21.778 11.843 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 0.138 -2.726 -1.377 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 -11.786 4.061 -16.821 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 11.489 4.851 -12.253 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 -4.819 -1.624 -5.794 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 -9.543 -19.291 -29.696 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 0.534 -3.036 5.048 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 -2.019 -3.115 -1.183 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 0.655 -17.214 2.424 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 8.496 -25.828 -11.149 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 1.757 -4.870 -1.080 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 5.887 8.625 18.342 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 -6.748 12.420 -2.957 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 -5.034 4.743 -6.762 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 13.569 0.664 -8.103 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 1.397 1.465 -14.770 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 -6.497 1.219 -2.923 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 -3.590 6.278 16.218 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 -5.758 7.786 14.251 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 3.561 2.298 -2.939 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 -2.165 32.295 3.465 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 -7.613 3.131 -5.421 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 -4.185 -5.957 -1.483 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 5.245 18.763 -9.549 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 -18.745 -1.522 10.245 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 -14.151 3.141 6.449 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 -26.905 1.945 -32.910 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 -19.153 4.060 -10.630 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 1.680 4.224 0.835 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 4.774 3.499 -26.162 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 8.143 7.284 -26.908 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 1.458 -0.771 -0.511 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 1.199 -0.084 0.087 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 -2.510 -0.567 2.448 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 -7.453 -6.348 -0.184 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 17.677 -1.846 8.932 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 10.526 4.770 4.710 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 2.207 -1.467 1.418 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 2.074 -9.169 0.255 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 3.293 3.706 -2.112 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 -5.499 3.023 2.347 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 -4.234 10.802 -13.279 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 -9.278 -4.835 8.213 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 -2.015 0.314 4.138 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 -14.158 -11.329 -17.138 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 15.112 21.528 -13.108 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 1.177 -5.416 10.045 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 -4.020 11.367 0.282 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 1.254 10.338 9.373 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 0.269 -1.424 -0.533 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 1.315 13.365 0.908 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 10.290 -11.102 14.383 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 -7.253 2.720 -2.456 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 5.345 -2.806 -0.422 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 -7.825 -8.112 -7.106 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 4.067 0.229 -1.085 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 3.135 -1.025 1.360 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 7.317 -2.184 -9.173 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 -1.533 -6.648 -3.955 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 -21.610 -5.244 5.303 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 18.809 -6.421 -7.643 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 0.705 5.530 2.217 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 -9.886 2.621 -15.314 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 -15.280 -10.511 -19.339 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 -0.855 -0.154 -1.209 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 -14.719 -9.072 -8.183 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 1.280 -38.340 1.328 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 7.303 7.412 -6.684 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 6.847 18.307 -0.831 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 -0.156 -14.642 -19.204 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 -0.995 -0.577 -2.664 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 -11.551 -9.748 1.074 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 9.159 -2.860 8.541 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 -5.706 -3.822 -0.629 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 -10.254 1.510 -4.780 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 -22.553 14.498 -16.655 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 -5.000 0.573 -0.244 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 -9.308 27.342 -23.580 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 -26.072 -17.814 15.723 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 -2.961 2.927 1.348 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 0.392 3.923 2.593 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 -15.656 -2.140 -7.637 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 -2.827 -0.232 -2.622 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 -5.043 -9.990 4.571 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 -3.222 -4.791 -16.419 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 -4.050 -4.752 -1.682 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 -4.561 -11.322 -21.814 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 6.589 19.989 15.086 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 4.339 3.189 4.740 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 6.250 -22.148 13.602 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 3.440 -4.959 -19.667 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 2.836 1.417 1.074 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 11.669 22.310 -29.861 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 -4.792 -15.070 6.366 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 -2.685 5.171 -0.998 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 5.091 0.180 12.570 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 -25.684 15.358 11.178 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 5.466 7.269 5.558 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 -34.040 -7.716 7.646 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 -2.404 -3.616 6.706 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 0.168 4.526 -2.658 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 -4.175 13.151 -14.125 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 -2.541 -2.909 22.659 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 -2.816 3.639 -0.216 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 -7.508 -2.118 3.355 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 -11.272 -5.211 6.762 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 -2.650 -0.988 -6.817 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 10.252 -13.334 16.729 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 13.057 15.362 11.590 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 1.221 -1.493 -6.904 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 -5.321 0.334 13.726 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 18.832 10.050 -7.703 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 0.579 9.901 1.556 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 -0.889 12.548 -5.171 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 -2.293 14.815 8.803 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 -4.516 -5.567 -4.727 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 -2.796 1.944 9.788 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 8.531 -1.079 -13.008 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 0.212 2.445 -2.715 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 16.328 5.839 -2.218 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 -10.002 7.403 8.059 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 0.187 -7.446 1.595 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 -3.337 -5.990 -0.332 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 11.087 -6.672 11.530 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 -5.602 1.998 -1.395 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 -0.552 8.337 -25.382 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 -21.820 0.166 32.339 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 4.922 1.508 -2.697 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 1.866 4.805 2.179 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 9.503 -9.056 -16.737 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 2.475 2.937 7.871 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 4.446 19.262 7.500 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 -10.591 -25.883 17.840 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 -7.662 3.632 5.347 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 11.663 4.432 2.116 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 -11.412 -2.855 17.231 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 3.931 4.620 5.860 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 7.789 4.598 8.442 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 -10.680 -0.971 -5.239 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 -0.459 -0.696 0.804 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 2.262 22.509 -10.858 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 21.831 10.665 29.974 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 -4.024 -0.881 -0.582 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 -14.469 7.625 -17.853 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 -2.395 0.038 -1.398 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 8.653 0.733 -3.955 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 15.812 20.968 -11.233 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 -13.837 0.123 -9.864 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 6.260 2.950 -8.061 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 8.896 4.970 0.213 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 3.078 7.982 13.573 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 -3.394 3.552 4.887 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 -16.323 2.588 9.528 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 10.930 -12.390 -16.327 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 10.204 1.515 -2.839 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 9.870 6.074 -12.657 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 -30.422 23.845 8.875 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 -6.091 -1.172 3.063 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 4.813 17.978 11.461 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 8.664 3.522 -5.907 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 -2.213 -0.203 -2.963 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 2.305 -2.067 -17.948 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 -14.925 -6.387 -0.952 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 -0.548 -2.599 -1.637 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 -1.339 0.932 -2.691 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 1.508 -22.841 -0.478 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 6.713 0.739 -2.990 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 -3.756 7.667 -9.877 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 6.779 1.845 10.067 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 -5.994 -7.558 -1.728 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 -12.738 4.732 8.144 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 -18.359 14.957 0.245 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 1.080 -1.745 -1.707 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 -3.100 -4.160 -4.250 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 0.518 1.345 -1.848 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 -1.064 1.166 0.931 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 0.756 -9.501 10.349 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 -3.743 -3.325 8.061 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 6.412 -4.360 4.322 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 13.154 -2.988 -2.207 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 3.853 13.268 8.803 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 -1.645 -3.928 -4.146 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 3.625 -6.928 17.863 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 -11.551 -6.577 6.299 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 -3.166 -4.156 2.221 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 -3.269 -15.590 4.423 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 -3.001 8.579 6.307 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 -0.326 0.158 5.747 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 -11.979 -5.378 4.767 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 10.957 -8.305 16.478 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 -4.644 3.510 6.179 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 14.185 18.693 -0.317 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 4.829 -25.305 -7.618 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 -3.472 -0.902 -6.087 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 -3.173 -9.015 -12.062 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 -0.835 4.525 -1.331 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 2.514 -8.762 -1.809 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 9.451 5.536 1.877 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 -4.656 -8.036 9.844 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 0.857 4.566 -4.768 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 -7.021 13.741 -9.539 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 -13.209 27.711 -15.914 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 -5.455 3.383 2.748 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 6.866 -11.106 0.824 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 1.369 14.462 16.838 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 -1.234 -3.467 2.463 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 -3.688 -4.395 0.421 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 4.715 -1.303 10.499 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 0.110 2.807 -7.559 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 -6.256 -16.109 4.060 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 -18.733 -6.224 -4.004 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 1.499 -7.565 0.441 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 6.846 -13.479 11.795 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 15.415 10.247 -8.328 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 2.710 -2.077 -1.290 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 -4.756 -7.660 -14.779 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 8.968 -21.081 4.088 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 3.872 1.654 -0.448 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 8.449 -1.913 5.549 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 5.547 13.344 -2.555 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 1.345 -3.862 -0.366 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 9.326 0.596 3.607 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 18.346 23.737 -14.755 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 -1.785 6.133 5.354 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 10.260 -23.841 8.231 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 5.118 -3.004 5.921 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 -0.490 2.936 0.680 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 5.914 3.733 11.462 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 10.411 21.114 10.578 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 -1.896 1.377 0.092 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 0.043 -0.123 2.552 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 -2.232 -2.475 4.336 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 -3.847 2.773 -1.340 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 15.055 22.266 8.379 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 -4.831 -2.397 -3.456 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 0.671 3.560 3.682 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 -0.822 -18.078 17.209 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 2.464 4.142 1.814 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 2.026 -4.369 -2.708 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 -18.579 -6.334 8.536 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 -0.917 -9.356 -5.258 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 6.618 1.684 2.763 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 11.426 1.814 10.181 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 -7.807 2.485 -8.509 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 -4.114 0.402 5.117 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 -6.246 -1.456 8.447 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 2.226 5.077 -1.016 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 8.044 -4.799 -4.264 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 9.061 -6.634 -0.556 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 8.538 -5.329 -2.753 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 3.242 2.360 -1.834 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 -1.449 12.042 12.128 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 -28.528 13.216 6.356 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 -0.568 -1.429 -1.467 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 -3.769 5.213 17.757 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 15.991 -19.103 1.446 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 2.876 -9.534 -2.027 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 -5.413 -9.200 16.932 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 26.982 -2.187 -2.474 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 -0.548 3.095 -3.001 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 26.692 -9.677 9.210 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 -3.031 2.868 -5.240 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 3.733 -4.868 0.910 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 30.127 12.828 3.171 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 5.782 1.437 -17.146 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 -4.604 -3.505 -2.407 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 -14.500 -1.738 -9.292 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 2.303 -4.146 -8.879 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 3.898 1.168 -2.067 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 -8.556 0.856 -5.852 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 16.303 -5.290 0.642 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 -4.151 -1.124 -1.773 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 -7.546 8.439 4.514 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 0.760 2.196 0.847 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 4.541 1.079 -0.385 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 10.130 -8.841 3.312 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 25.007 -3.522 -4.490 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 -0.481 -2.132 4.551 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 5.499 0.294 5.397 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 12.559 6.352 -1.408 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 -2.762 -14.377 1.716 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 -21.501 11.885 -5.121 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 -11.193 -1.398 5.001 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 -1.935 4.764 5.575 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 -13.617 7.954 7.434 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 -6.740 22.676 18.920 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 -2.823 -1.519 1.085 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 -25.415 2.507 6.641 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 5.055 -1.700 11.020 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 0.486 -5.627 -4.392 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 13.386 -1.533 -6.331 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 5.320 -3.783 -1.182 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 -3.510 7.173 4.919 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 -6.738 -3.698 18.486 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 0.373 -18.158 -7.010 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 1.247 9.234 -0.484 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 0.833 -8.851 -24.223 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 5.278 36.526 1.857 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 -6.582 -5.123 0.052 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 -7.709 -6.369 -0.303 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 -10.473 -3.618 0.976 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 -5.448 -7.141 0.269 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 -5.225 -11.568 -0.951 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 10.872 18.562 -8.420 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 -7.576 -2.580 -5.127 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 12.741 -6.840 -14.269 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 -6.770 21.589 13.577 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 7.013 4.682 3.133 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 5.276 11.073 2.164 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 -8.994 8.740 -33.217 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 6.799 10.003 2.107 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 15.149 10.426 -10.162 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 -11.628 9.092 -22.738 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 1.909 -0.963 2.192 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 -5.641 -10.758 -16.963 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 2.126 -9.373 12.569 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 3.023 4.308 -2.179 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 11.244 6.231 12.436 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 -5.015 -0.113 13.230 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 -2.380 -1.643 -5.971 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 18.619 -1.990 -11.705 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 -9.926 -17.150 -3.536 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 1.521 2.942 2.741 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 9.468 -6.274 6.912 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 0.174 8.081 18.464 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 -2.094 -1.786 -2.454 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 -4.684 2.303 -8.700 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 11.926 -28.280 27.582 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 -0.109 -4.514 4.300 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 -6.741 -15.394 16.118 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 -7.882 -18.780 13.076 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 0.523 -1.645 -4.715 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 -10.178 6.925 8.718 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 2.003 -3.828 -11.836 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 -9.269 -2.487 -0.198 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 3.394 16.097 -1.115 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 -13.542 -15.929 5.367 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 3.394 1.195 2.085 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 12.075 16.899 6.786 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 -2.589 -1.058 -14.851 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 5.977 -2.631 -4.525 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 -10.664 17.007 -13.512 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 0.572 -0.440 -7.815 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 4.120 -1.711 -4.648 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 -1.629 -3.832 -2.817 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 13.254 -4.730 0.478 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 5.274 -6.906 3.972 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 2.338 -6.788 -1.616 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 0.071 -0.434 5.395 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 -1.779 -1.649 -7.231 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 -3.154 -3.400 -6.691 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 1.230 -2.032 -5.486 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 -1.659 -0.668 -7.827 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 -7.780 -0.307 23.971 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 25.040 15.819 -11.461 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 0.676 -3.320 1.156 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 -27.606 -1.750 -7.672 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 -9.540 -3.030 -5.706 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 -4.074 4.950 2.502 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 6.788 -21.784 -32.058 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 8.409 -23.259 -28.195 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 -1.947 -4.217 -0.086 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 1.402 -22.985 -12.731 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 2.404 -34.919 -4.472 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 -8.263 0.888 -1.534 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 7.044 -11.771 3.625 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 8.733 -27.679 13.027 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 0.936 -0.056 0.113 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 10.844 -20.143 18.802 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 3.236 -1.237 -3.736 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 -0.035 -3.557 5.096 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 -0.447 31.680 -20.649 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 -20.565 14.652 26.318 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 2.444 -0.885 -2.400 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 6.949 -11.208 5.862 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 -12.144 10.834 2.241 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 8.534 -6.436 3.324 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 17.042 -8.429 5.252 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 -8.405 6.283 -1.714 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 5.882 3.009 9.778 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 6.337 0.764 9.520 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 3.926 -6.462 8.336 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 -1.084 0.348 2.827 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 8.349 13.448 -10.819 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 -3.949 -5.199 -16.039 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 -1.584 0.949 -10.661 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 0.836 3.317 -9.211 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 5.522 1.077 -9.145 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 1.139 5.260 0.351 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 14.721 27.791 5.715 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 4.298 -25.125 -3.799 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 -0.753 -6.140 -5.376 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 6.604 -13.773 -7.893 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 -3.314 -11.462 -12.979 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 -6.282 4.564 -1.523 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 -9.301 6.536 -19.581 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 11.791 -4.747 -14.080 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 0.897 -3.269 -7.200 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 -7.606 -4.631 -0.564 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 -14.473 -5.949 38.306 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 -0.008 4.882 0.313 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 6.673 9.023 -22.998 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 6.238 6.767 0.838 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 -1.341 0.518 -4.188 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 33.771 16.432 -2.303 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 17.259 22.099 38.905 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 -0.557 5.782 3.473 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 -5.742 9.722 -17.870 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 9.758 -3.693 0.966 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 6.349 3.573 -1.596 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 13.202 15.856 9.800 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 19.166 23.291 -32.814 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 5.651 -6.997 10.219 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 13.270 -1.090 5.010 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 -6.981 31.351 3.514 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 -7.638 8.604 2.550 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 -0.276 1.678 -11.663 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 -6.258 5.541 -5.456 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 -0.948 -0.553 -2.642 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 -12.530 -25.435 2.986 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 -9.620 8.439 14.384 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 -0.173 3.425 4.203 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 6.276 12.992 9.208 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 -2.226 -1.768 -20.460 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 -8.462 -3.878 0.585 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 -13.219 0.753 -1.672 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 -3.806 -3.968 0.211 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 0.479 -7.426 1.929 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 -12.427 -23.962 -20.326 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 5.903 -15.416 18.034 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 2.085 -2.949 6.540 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 -2.524 -18.106 -8.996 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 -4.526 -6.132 -2.392 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 -1.247 3.435 1.061 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 -5.280 10.440 3.078 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 4.409 2.494 3.934 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 -0.272 1.641 -3.632 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 -16.094 4.057 20.829 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 -9.735 -2.917 -0.112 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 5.203 -5.836 1.431 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 6.657 -8.541 -3.128 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 1.815 -13.447 6.916 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 -4.842 0.646 0.431 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 -14.337 -1.468 -12.221 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 -18.524 -5.989 -19.223 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 -0.715 -9.035 5.255 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 -19.631 -21.377 4.311 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 6.892 -2.180 20.237 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 -0.872 2.483 -6.400 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 -15.189 12.698 3.375 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 -8.249 -11.281 -15.161 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 -0.873 0.139 -2.440 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 1.143 28.757 -16.958 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 -22.515 2.491 31.821 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 -0.517 -5.713 5.773 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 12.226 -15.040 13.327 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 -2.551 6.750 3.538 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 -0.971 -1.395 -3.266 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 -10.252 -14.798 2.939 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 -2.477 -14.259 -24.784 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 5.209 -5.773 1.251 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 -20.043 -34.860 -12.307 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 -21.406 6.030 21.414 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 4.603 -1.660 2.727 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 25.226 5.968 -11.361 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 1.868 12.879 4.382 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 6.922 4.701 3.287 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 -7.638 24.773 12.133 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 -14.444 -1.040 14.335 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 0.605 -3.896 2.702 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 -8.020 7.087 -13.504 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 7.303 -7.392 -11.620 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 -3.470 2.405 -1.794 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 -7.534 -2.764 -1.198 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 -2.542 3.956 -0.180 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 -6.217 -2.782 -9.578 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 -20.884 6.289 -25.545 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 -13.369 -4.748 -22.478 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 0.720 1.187 -0.602 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 4.365 1.148 -3.563 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 -12.249 -5.087 0.568 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 2.689 -1.616 -6.746 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 -23.065 -28.527 -17.768 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 0.806 -4.502 -10.018 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 -0.732 6.025 6.377 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 -29.107 -11.985 18.165 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 23.471 -16.648 3.449 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 3.892 1.712 -9.996 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 3.071 19.494 -9.582 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 0.918 32.037 -3.085 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 5.667 -3.028 1.093 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 2.280 -8.829 22.848 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 -9.210 8.346 -10.093 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 -0.218 -5.272 5.100 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 -11.056 -6.957 1.618 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 -11.132 -7.957 1.865 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 -3.026 1.375 -4.109 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 -18.677 -4.409 -0.577 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 -3.302 -2.449 3.908 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 6.502 4.616 -3.308 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 -5.301 1.593 0.844 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 8.690 6.598 6.723 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 -1.642 -3.125 4.558 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 0.886 6.396 -4.223 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 -8.985 3.161 5.696 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 0.988 2.711 4.113 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 -9.872 -3.012 26.119 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 0.884 23.040 -5.159 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 3.523 -1.867 4.640 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 -20.055 14.758 -31.533 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 42.954 -21.862 -6.346 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 -5.124 -5.135 -0.796 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 -5.319 -3.256 3.162 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 -6.648 -2.204 -2.846 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 5.028 4.008 5.482 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 16.790 17.374 -33.753 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 -12.487 12.327 5.117 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 -0.568 -6.953 0.255 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 0.496 6.060 0.883 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 -10.970 -5.823 13.081 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 2.343 -4.873 -3.578 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 -20.659 -8.042 -17.371 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 -12.340 -4.020 -14.420 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 -6.829 0.396 0.300 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 24.841 -1.171 -0.099 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 19.424 4.142 -1.468 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 -1.300 -6.950 6.634 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 8.971 23.589 13.009 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 0.997 3.243 34.971 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 4.729 3.891 -4.251 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 1.964 9.035 -0.790 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 0.184 -2.168 -4.406 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 4.228 -1.883 -1.860 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 7.013 -6.566 6.000 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 17.980 14.976 -11.634 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 -0.683 -0.387 -2.472 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 0.735 8.045 -0.751 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 1.717 10.345 -0.477 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 -9.056 1.605 4.407 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 -14.476 1.353 9.125 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 6.914 -15.044 -12.539 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 -7.901 1.145 7.568 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 -10.265 0.921 -1.069 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 4.461 -7.423 1.103 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 0.939 3.405 0.452 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 -0.201 0.358 -0.952 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 3.085 28.319 5.802 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 -1.779 -2.301 -5.421 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 0.477 14.106 -1.837 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 14.491 -4.975 -10.030 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 2.875 11.447 4.678 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 -3.247 -4.347 8.358 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 15.018 3.052 6.478 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 2.871 -2.849 1.873 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 41.985 -16.059 11.577 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 -5.881 -0.807 -7.407 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 -2.912 -1.470 -1.126 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 -5.636 0.286 2.250 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 -1.842 1.657 -0.684 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 -5.206 0.378 3.544 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 13.298 -9.582 9.446 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 -8.132 1.793 4.685 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 1.669 1.689 5.536 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 11.518 2.572 -45.364 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 12.335 15.398 5.647 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 -4.177 -4.668 3.647 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 11.228 27.655 3.186 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 -11.387 -15.713 6.800 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 1.943 -0.808 -3.493 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 2.131 -2.812 -4.834 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 -16.787 -3.417 43.882 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 -4.181 -3.783 -0.908 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 -7.166 -8.171 9.431 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 -4.657 -3.041 -1.935 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 -4.776 1.834 6.608 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 2.104 16.778 7.436 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 1.925 -7.643 -1.220 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 -4.573 2.627 -2.402 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 -11.964 -11.703 -2.969 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 -15.563 -17.698 2.745 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 3.144 -5.812 -5.909 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 -32.503 -11.371 -26.113 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 -5.828 12.486 24.300 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 -2.818 6.397 -0.898 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 -4.934 -13.680 6.406 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 -2.997 0.161 -3.654 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 1.499 0.572 -5.929 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 -13.056 1.481 2.127 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 8.435 -4.622 -6.792 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 1.400 5.259 -0.343 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 -10.662 -7.311 0.661 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 0.456 10.148 7.134 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 -0.161 -0.546 -4.453 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 -27.194 15.399 -1.708 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 4.009 3.050 13.115 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 6.310 0.164 3.241 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 7.486 5.788 6.142 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 8.555 -3.824 -4.891 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 -0.625 -2.802 5.080 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 5.892 3.468 -8.770 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 -6.320 5.064 -1.766 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 -6.739 -0.989 -7.193 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 -0.164 0.876 -2.000 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 16.974 5.291 7.824 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 3.115 -5.644 0.417 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 5.832 8.542 -15.740 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 27.757 -6.731 -3.747 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 0.152 2.041 -0.318 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 -19.408 -1.859 -32.234 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 -5.342 0.683 -7.101 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 1.070 5.456 3.108 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 11.063 -12.059 -9.984 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 -5.773 -16.538 -9.999 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 -4.359 -3.061 -1.845 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 -1.824 -0.220 10.989 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 -11.273 -6.749 -12.163 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 -0.958 -1.427 2.665 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 -5.835 -14.601 -12.503 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 2.698 -1.012 -3.016 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 -0.564 -3.058 3.936 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 1.629 35.793 -11.784 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 27.757 1.415 -10.132 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 4.852 0.244 1.282 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 3.806 0.079 4.604 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 1.842 -0.613 11.277 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 -0.323 9.755 6.248 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 11.279 9.025 7.390 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 -8.150 10.169 5.746 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 -2.294 3.824 7.714 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 -3.770 -4.190 -0.607 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 0.582 -1.187 0.065 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 -0.320 -4.259 -1.546 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 15.570 -1.982 0.952 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 -9.353 -9.597 -8.633 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 -3.078 -4.939 3.724 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 -0.647 -1.028 -8.541 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 1.582 -8.471 10.174 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 -0.204 -1.721 1.751 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 -6.918 2.964 19.048 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 -12.543 27.158 21.445 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 -7.118 4.188 4.650 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 28.012 -8.393 -9.716 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 -10.068 4.835 -4.680 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 7.048 -2.987 -0.038 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 -4.193 17.567 -2.825 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 -2.632 -4.618 -13.689 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 -0.266 -0.507 -6.628 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 -8.988 -4.503 -5.467 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 -1.373 1.678 0.818 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 -0.379 -0.697 -2.923 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 0.088 0.582 -8.886 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 -11.967 -18.125 -10.485 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 1.024 -0.983 -7.198 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 -9.516 17.089 -6.997 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 13.203 -14.635 -7.771 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 -1.193 -3.405 5.054 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 -4.080 -20.121 6.517 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 5.992 -1.072 22.300 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 5.780 6.200 -0.943 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 -7.200 -15.237 -2.082 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 27.928 17.958 3.943 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 9.556 -0.499 -0.425 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 9.943 -1.354 -6.938 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 4.978 -11.857 -18.922 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 -7.998 -0.253 8.020 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 8.362 7.872 10.460 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 -12.270 8.355 3.006 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 -3.714 0.802 -5.932 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 1.232 9.099 -5.417 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 -8.613 0.541 -24.161 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 -2.423 -0.375 -2.262 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 9.431 -23.851 -0.485 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 -35.874 5.383 -18.102 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 4.078 -2.327 -1.314 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 7.854 -3.788 17.166 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 18.395 3.815 -8.219 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 1.654 0.215 -0.220 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 -2.847 -8.348 -12.304 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 -2.221 -0.188 2.401 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 1.013 -0.861 4.573 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 14.280 17.931 2.205 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 -2.390 -6.562 5.147 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 -4.149 -0.373 -6.041 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 -3.420 6.690 1.027 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 -4.427 4.159 -6.568 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 3.263 -2.444 0.610 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 15.665 -6.095 -4.936 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 7.718 7.272 12.164 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 2.490 7.424 -3.291 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 6.607 -2.600 -8.454 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 4.877 3.529 -9.013 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 2.523 4.202 -8.041 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 -5.505 -3.161 -14.410 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 3.763 8.648 -4.810 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 -5.585 -4.743 -3.277 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 -7.161 7.948 -2.880 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 -1.080 -3.897 -1.617 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 -4.319 -3.362 -3.209 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 -15.338 2.829 -27.669 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 -6.509 -19.880 7.534 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 5.537 1.276 -1.839 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 -7.406 -11.522 14.993 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 4.265 17.361 -3.030 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 3.934 0.467 4.284 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 3.954 -1.324 4.371 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 0.317 21.760 7.166 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 -0.767 -1.813 -1.077 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 -2.902 -6.127 -5.091 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 -0.891 0.340 -1.781 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 3.275 0.372 4.088 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 9.956 6.690 1.441 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 -34.265 8.036 -17.744 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 2.747 2.872 5.352 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 7.601 14.779 9.693 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 -8.577 6.332 -1.099 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 0.289 4.282 -4.099 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 4.067 4.541 -1.924 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 -11.070 -16.079 -31.971 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 1.567 2.768 -1.358 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 -0.496 -8.650 -4.386 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 -15.030 -19.000 -11.630 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 -1.341 -6.750 0.242 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 -3.790 -16.338 -26.888 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 13.263 -31.766 -4.769 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 -5.347 6.337 1.788 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 6.068 -7.190 -4.949 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 8.507 -7.728 -0.685 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 -3.348 -1.071 -0.468 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 2.122 0.353 -3.834 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 25.470 0.885 2.935 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 -1.837 -5.069 5.147 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 -1.579 33.304 -1.110 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 -2.107 -22.251 13.976 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 3.511 -1.815 3.030 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 17.432 13.193 3.560 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 10.313 -15.560 -7.516 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 2.721 -1.070 -6.799 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 0.642 1.861 -6.513 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 4.006 -16.194 -15.563 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 -3.642 2.325 5.228 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 3.479 6.452 9.149 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 9.711 2.610 2.035 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 6.380 2.380 -1.620 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 7.804 21.383 15.946 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 10.418 -2.829 -2.165 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 -3.214 1.992 3.090 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 3.276 -10.527 1.620 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 6.620 5.476 -3.536 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 7.820 8.394 6.435 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 4.191 0.640 -8.118 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 -11.387 -5.349 -4.423 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 7.181 1.959 -2.575 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 -5.683 47.463 21.649 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 0.033 15.779 -19.260 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 0.070 -0.587 -0.128 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 6.598 -8.058 0.611 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 -2.236 10.446 2.442 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 -4.963 -1.540 1.994 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 -4.256 21.514 22.238 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 -6.318 -30.047 -24.552 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 -0.588 -4.092 -0.011 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 -5.451 0.903 -1.811 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 -3.866 -10.510 0.104 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 2.786 10.203 1.480 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 -7.941 -0.143 6.304 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 9.677 16.787 -15.607 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 -4.552 -1.314 -2.132 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 -11.305 -6.070 -18.611 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 -1.064 14.432 -8.962 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 -4.349 0.386 -1.931 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 -10.889 -7.579 7.711 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 5.305 7.773 5.148 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 4.779 2.246 0.640 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 -15.809 17.514 -7.358 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 5.154 6.925 39.110 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 2.349 -5.890 4.996 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 32.293 -21.809 10.747 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 15.511 16.919 -10.146 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 -6.416 -0.315 -4.657 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 -5.732 -1.057 -5.971 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 -16.855 8.869 0.946 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 0.064 -3.513 -3.328 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 3.549 -9.330 -2.483 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 4.917 -10.964 -4.455 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 -9.200 0.401 2.423 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 -3.862 -14.290 -3.763 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 -5.068 12.850 -8.066 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 4.920 5.014 -2.829 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 -4.158 0.975 22.996 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 -5.435 -16.530 -11.358 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 3.341 0.106 -4.498 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 -6.240 -16.549 -4.427 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 7.632 2.449 -1.599 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 -7.045 1.273 -2.404 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 -8.794 -21.608 4.859 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 -7.135 5.550 2.078 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 -2.993 -6.068 -1.712 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 -12.886 -3.054 -3.198 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 -24.793 -16.523 -19.562 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 -1.430 3.434 1.143 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 22.222 4.339 -14.484 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 11.862 13.928 12.220 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 -0.619 -1.927 3.432 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 4.602 7.564 -25.837 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 -2.144 -2.232 10.596 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 1.961 -1.725 0.328 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 -1.951 -15.928 0.496 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 -6.624 8.638 7.976 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 6.868 -4.699 0.983 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 2.369 -11.924 3.606 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 17.013 9.887 -7.626 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 6.307 2.329 7.033 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 13.835 -1.762 -4.495 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 -6.740 -13.689 27.240 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 -9.195 -3.116 3.187 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 -17.402 -32.710 -12.804 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 6.407 13.465 -19.225 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 -2.695 -2.467 -4.091 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 16.101 2.242 1.131 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 19.580 3.993 3.058 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 5.290 -6.942 2.544 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 -15.656 -1.765 4.865 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 15.299 37.572 -19.366 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 -1.882 3.583 2.441 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 10.287 -22.478 -16.499 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 -19.674 -5.544 -4.520 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 1.516 -4.995 -2.877 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 4.308 13.336 15.094 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 5.133 -5.340 -5.987 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 -2.775 -1.891 3.003 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 7.095 14.582 -4.308 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 16.813 -17.561 30.244 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 -0.927 0.876 0.527 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 9.091 -17.651 -9.573 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 -10.596 6.440 -3.363 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 -2.304 -3.813 -5.588 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 6.652 -6.555 -7.698 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 -1.632 1.735 2.148 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 4.338 -2.050 2.229 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 14.401 -25.262 3.185 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 12.515 -19.398 17.750 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 0.365 1.843 -1.077 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 3.713 13.870 12.112 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 -0.227 -6.789 -8.817 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 -1.053 4.884 1.835 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 11.685 4.972 11.357 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 0.705 -18.261 1.800 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 -8.090 -4.443 -4.610 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 1.934 -1.018 13.444 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 -11.873 3.055 -11.166 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 -3.744 6.022 -4.523 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 -6.504 -0.830 -4.942 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 -15.805 -12.765 3.244 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 5.429 -2.840 -1.029 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 -9.948 6.432 -1.484 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 2.085 -2.214 -2.661 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 -0.093 6.825 -5.330 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 -27.409 5.625 11.893 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 -8.151 7.074 -1.441 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 -1.244 -7.131 0.015 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 -11.575 -35.472 8.705 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 -21.385 2.470 -26.291 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 1.334 -0.552 -2.061 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 31.985 -20.686 -11.856 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 3.792 -6.235 -29.146 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 -1.981 1.794 0.425 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 7.022 16.509 14.541 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 -3.653 -1.399 -0.325 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 -6.219 0.187 2.842 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 -14.199 1.907 8.101 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 -1.159 -4.842 9.175 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 1.858 0.647 0.393 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 -32.651 -2.055 8.273 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 -26.110 -3.118 0.959 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 -1.238 -0.941 0.609 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 -0.029 -2.298 2.462 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 15.574 -9.566 -13.584 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 -5.117 1.638 3.269 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 2.346 1.623 -2.283 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 11.432 -9.275 -15.819 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 -0.638 -8.129 1.773 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 12.818 -7.265 11.125 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 5.037 -5.400 37.366 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 -13.153 -7.521 0.134 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 -4.212 -4.970 -7.427 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 -11.518 -5.062 7.080 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 -4.507 2.692 -5.455 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 13.483 6.340 22.752 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 -1.850 6.604 -0.089 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 -3.355 3.752 -3.219 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 -16.704 8.265 8.828 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 9.194 7.596 -3.577 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 -7.717 -6.220 0.292 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 -17.448 -2.856 -23.837 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 5.105 -8.569 25.457 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 1.246 3.597 0.185 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 -9.820 6.621 4.186 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 17.209 -0.076 -6.037 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 0.277 -2.928 2.564 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 23.687 1.792 3.703 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 2.088 -2.861 4.709 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 0.638 -0.706 -1.540 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 8.231 -20.823 -13.499 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 -14.931 -3.352 -1.218 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 -1.565 3.616 -3.546 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 -1.438 8.258 -7.590 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 -17.875 -10.062 19.578 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 -2.933 -6.580 -4.653 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 18.073 -15.951 16.936 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 7.811 -0.145 -1.627 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 3.621 -6.261 1.531 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 7.026 -12.624 0.680 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 6.245 -4.353 -1.273 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 -3.556 1.162 -0.711 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 -23.819 3.806 -7.092 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 -1.588 -20.965 2.453 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 1.693 3.449 1.471 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 -4.147 5.285 4.780 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 14.933 -2.238 2.219 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 -1.430 0.978 1.938 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 -13.873 -15.680 6.238 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 -16.635 4.150 -0.994 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 -5.628 -1.891 3.134 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 -7.519 -4.703 24.787 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 -13.637 11.197 26.182 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 -3.451 0.961 0.908 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 8.592 -5.168 -5.696 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 -0.968 -19.744 -10.436 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 -3.493 0.002 -0.024 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 1.055 4.287 0.844 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 -2.353 -2.286 -5.933 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 -0.997 2.689 -4.407 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 3.476 29.721 13.195 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 -35.849 -4.739 -15.206 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 2.280 -4.399 0.723 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 9.368 -1.992 -9.548 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 7.633 -15.668 3.640 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 1.050 8.729 -0.582 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 -7.462 16.545 4.085 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 15.647 15.740 -8.101 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 -9.508 -5.520 7.988 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 -18.309 -18.432 -21.202 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 -14.106 11.833 3.320 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 2.406 -0.968 -0.535 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 6.180 -6.008 5.632 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 7.127 -17.698 19.660 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 3.117 8.021 -1.545 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 18.466 -19.196 4.255 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 -1.800 30.301 -12.151 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 -0.343 2.064 1.068 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 -2.100 -13.072 21.302 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 17.774 14.027 -7.246 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 -4.598 -0.185 5.409 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 5.091 -3.846 32.755 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 9.095 3.371 -0.112 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 6.269 0.773 -4.359 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 -4.421 14.634 -7.388 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 29.359 -6.360 -7.910 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 3.478 4.147 1.191 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 1.476 -7.012 -5.776 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 -7.101 9.910 -0.384 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 -3.959 -2.816 -5.283 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 6.216 -11.313 1.763 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 3.003 -4.148 -17.943 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 4.579 -1.907 0.615 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 9.568 -20.140 21.061 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 7.589 2.592 -13.603 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 -2.831 -5.374 -0.813 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 -7.561 -12.961 18.969 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 9.239 13.252 1.585 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 4.272 1.579 -2.916 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 -16.457 8.197 12.761 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 -8.190 13.967 8.871 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 -4.317 2.884 -0.543 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 0.074 -1.835 2.543 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 5.657 2.389 -2.690 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 1.748 0.126 0.919 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 12.448 3.190 -12.739 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 20.329 10.423 -17.268 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 4.022 1.884 4.202 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 10.641 12.540 7.924 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 7.459 15.445 5.218 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 0.309 -1.499 -1.883 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 7.208 -7.363 21.874 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 -3.047 -13.500 -13.254 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 3.084 -0.983 -7.960 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 -13.345 -13.955 4.347 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 -9.447 -0.069 -2.518 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 -3.072 -2.380 4.711 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 12.302 5.430 17.001 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 -3.969 -3.335 -15.356 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 -8.586 5.077 -1.365 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 9.390 -4.764 1.890 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 -16.893 2.828 16.708 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 -4.005 -0.046 3.864 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 12.930 -3.374 16.343 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 -13.007 15.346 6.811 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 3.282 5.391 2.145 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 -3.768 -0.899 14.792 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 3.092 4.866 -5.512 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 1.499 3.138 1.617 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 5.711 5.801 1.438 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 -3.903 -4.033 -16.699 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 -0.588 3.231 -1.565 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 -9.200 6.940 -13.792 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 -1.645 10.901 9.229 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 -2.094 -1.779 -0.678 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 -0.673 5.028 3.124 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 -1.307 -18.914 1.705 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 -0.157 0.876 -1.038 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 10.378 11.101 -11.437 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 8.629 -7.881 -19.284 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 -3.448 2.036 -4.094 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 -11.300 8.759 -2.692 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 -2.990 2.035 11.564 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 1.317 2.148 5.314 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 1.305 0.693 10.707 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 -5.987 -6.197 26.529 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 0.300 0.929 4.557 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 -5.926 -4.067 -2.326 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 -0.985 -4.001 4.849 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 -0.283 2.396 -2.140 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 1.794 -24.792 19.323 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 15.320 2.599 -1.408 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 -2.995 2.127 -8.669 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 -13.238 5.615 4.776 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 7.853 19.158 -4.762 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 0.814 6.472 0.205 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 18.027 -9.041 -4.809 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 9.780 2.010 -17.054 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 -0.453 7.650 -0.503 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 5.289 20.256 7.009 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 0.049 -10.532 -4.166 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 2.325 6.306 4.733 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 6.110 6.405 4.438 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 -2.992 0.899 18.765 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 -7.439 2.703 1.540 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 -12.488 -5.632 -19.156 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 8.155 -1.832 2.142 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 3.283 5.112 6.396 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 7.754 2.458 2.291 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 -7.595 6.440 11.063 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 2.239 1.966 5.491 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 16.609 9.012 -4.310 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 -8.959 5.528 15.184 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 0.484 -1.431 -1.030 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 12.937 -9.804 17.987 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 -9.363 9.838 2.506 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 2.587 -1.863 -0.614 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 -7.198 -7.924 3.876 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 19.365 11.362 -10.755 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 -6.005 2.023 0.997 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 -16.283 5.214 -9.243 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 15.709 -17.207 24.933 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 -1.037 -1.619 1.486 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 -13.098 -0.069 -18.175 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 7.491 -3.903 15.133 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 -2.478 9.734 1.127 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 -6.286 13.420 13.220 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 -0.114 5.657 -3.124 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 -6.808 -0.199 0.463 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 -6.619 -4.289 -3.044 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 -3.926 9.154 -32.215 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 0.250 -0.253 -5.998 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 7.115 -0.147 -8.750 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 1.101 6.518 2.929 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 -7.463 -6.724 8.831 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 -23.456 0.459 -0.733 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 0.956 -9.534 11.251 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 3.731 3.456 0.500 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 -7.162 16.235 3.610 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 30.403 -24.920 -6.140 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 -3.130 1.320 3.267 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 8.196 1.866 3.036 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 -25.039 -12.071 20.858 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 -5.873 -0.403 5.416 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 -2.295 2.083 4.960 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 -17.539 -5.121 6.860 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 1.981 -8.885 0.879 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 5.228 14.164 -10.387 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 -3.061 -16.356 0.263 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 2.255 -5.155 -3.067 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 -23.939 -12.000 1.771 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 -3.433 -6.304 -3.743 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 0.605 2.401 3.206 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 7.214 -12.583 -3.098 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 -8.679 14.840 9.987 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 -3.158 -1.242 5.792 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 -31.051 7.029 13.346 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 6.453 -11.509 11.921 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 -4.449 -1.356 5.830 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 9.702 -13.916 12.331 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 5.580 8.303 -7.906 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 7.351 0.185 -2.875 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 -3.389 -20.647 -19.642 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 8.161 11.568 -11.345 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 -8.882 -2.357 -3.935 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 -9.661 -3.683 -14.775 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 1.668 1.873 -1.154 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 -1.404 -2.813 2.057 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 1.455 9.627 9.543 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 2.527 -4.748 20.813 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 -0.707 7.461 1.485 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 3.448 1.632 2.141 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 -3.745 5.580 -10.513 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 4.247 -2.516 0.096 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 0.590 -3.535 1.589 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 9.866 -0.332 -3.116 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 3.822 2.621 4.353 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 9.518 10.103 -4.872 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 10.996 -9.004 9.909 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 -4.013 5.356 5.986 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 4.652 -16.680 19.116 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 -9.619 12.844 2.136 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 -2.166 -3.826 -4.928 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 5.051 -6.995 -5.144 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 -11.447 -8.765 -5.432 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 2.423 -1.303 1.103 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 -10.060 7.090 4.122 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 -2.441 -26.316 -3.661 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 6.464 -3.983 -1.548 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 0.709 -12.167 -18.231 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 -7.745 -16.902 6.241 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 1.146 -8.291 -0.930 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 -4.501 -5.754 -6.050 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 1.003 -17.122 -1.298 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 5.658 0.496 3.326 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 3.088 15.443 5.519 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 -16.108 1.987 7.213 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 -2.408 -0.592 0.309 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 2.195 18.951 -3.864 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 -0.026 -32.479 -19.658 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 -9.464 -3.751 -1.676 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 -1.749 -12.109 -12.445 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 -34.377 -0.863 11.847 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 3.807 -12.985 4.913 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 -0.167 -3.799 7.302 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 5.322 -13.619 15.892 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 -3.517 4.391 -5.363 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 5.034 25.899 31.988 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 3.619 7.617 14.815 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 1.731 8.346 9.026 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 1.757 25.215 11.144 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 8.712 6.562 -4.300 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 2.149 1.361 3.494 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 1.915 -24.612 1.811 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 -13.689 13.118 -1.630 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 -4.992 4.215 -2.395 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 -15.289 0.743 -12.451 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 -9.373 7.928 9.214 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 4.328 -2.938 0.329 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 -4.836 -19.504 -9.335 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 7.698 5.539 5.390 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 -2.483 -2.878 4.495 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 20.800 11.043 2.542 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 4.534 -5.315 -0.007 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 -3.075 -1.637 -0.083 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 6.281 4.233 -15.632 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 0.710 14.617 -20.074 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 4.517 -0.011 -2.118 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 8.933 6.482 7.958 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 -0.555 -0.410 -6.027 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 5.320 5.365 -4.045 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 -4.946 -4.982 -8.981 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 14.033 9.360 -14.796 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 2.976 4.823 -4.756 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 3.830 5.465 -3.754 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 5.648 15.403 1.015 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 1.017 5.737 2.956 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 11.438 -3.324 6.592 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 -2.342 33.020 -0.568 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 -0.339 5.130 2.694 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 10.425 14.645 -2.112 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 4.684 -6.794 2.058 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 1.396 -1.498 -1.735 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 10.230 -1.932 -9.850 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 -14.995 -4.625 -6.233 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 -0.651 -0.430 -2.807 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 -2.967 -6.513 -9.303 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 -18.470 17.432 2.468 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 -5.907 -1.593 0.292 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 -2.180 -8.603 3.349 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 -4.909 24.469 0.723 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 -1.015 3.246 0.986 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 -6.792 -0.147 -5.397 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 0.245 4.427 3.478 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 2.383 0.615 3.481 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 -2.397 -5.783 19.521 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 -2.657 -8.025 2.687 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 -0.821 3.193 -4.594 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 -16.666 3.971 14.708 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 -10.327 15.230 5.806 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 -0.951 -2.527 -9.365 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 10.092 -6.761 -28.578 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 -11.525 9.176 -15.390 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 0.893 6.743 1.060 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 -1.133 31.181 -24.919 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 -14.197 -19.310 -27.867 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 -0.335 1.553 -0.994 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 -14.915 1.059 0.283 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 16.740 8.209 1.557 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 1.495 5.638 2.127 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 -11.847 -20.708 1.653 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 -13.257 -40.073 8.145 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 2.035 0.364 -5.537 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 -0.992 4.121 0.436 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 -1.523 -17.049 1.063 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 -7.477 3.493 4.170 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 -20.533 -9.810 10.594 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 -10.002 4.224 -0.065 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 1.762 -0.169 1.981 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 3.301 -0.756 -3.384 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 4.576 1.227 6.207 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 9.724 -5.270 0.897 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 -23.499 -9.948 -4.828 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 -28.722 -12.065 -7.338 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 -8.234 0.971 -0.303 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 -6.240 3.481 20.174 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 -2.255 4.715 -5.915 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 -2.551 -8.097 -1.367 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 -27.023 1.083 -22.956 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 6.884 13.263 -13.169 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 5.830 -1.972 -1.486 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 -1.331 15.377 -3.806 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 -16.603 5.423 14.535 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 -1.878 -0.722 0.562 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 7.102 -20.692 11.260 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 -1.669 0.248 -13.065 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 3.461 4.976 3.056 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 11.962 -3.668 2.918 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 -0.256 8.793 5.619 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 -1.947 1.377 -2.563 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 -1.102 23.205 11.399 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 -21.678 -3.159 -1.753 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 5.200 -3.818 -1.329 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 -9.325 5.593 -22.324 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 -0.275 11.294 -14.373 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 1.728 -4.181 -2.274 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 5.149 -2.441 1.858 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 -8.267 20.257 -11.238 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 -4.659 -4.433 -3.792 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 6.879 -0.895 -8.970 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 10.381 4.692 17.760 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 -1.545 -3.850 -5.603 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 7.865 -6.223 -3.872 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 -0.501 -1.448 -15.716 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 -2.505 0.104 1.750 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 -1.516 4.376 1.254 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 -3.728 -10.903 4.539 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 6.643 -3.690 5.010 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 -2.624 -13.968 9.262 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 30.586 -13.002 -30.014 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 -1.795 -9.052 -1.280 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 4.763 0.686 -5.887 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 12.789 -9.835 -3.741 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 -1.420 9.341 2.570 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 6.317 16.882 -3.406 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 0.530 0.266 -2.555 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 0.989 4.552 -5.016 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 -1.976 10.792 5.104 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 1.567 2.963 -7.445 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 -1.726 -4.246 -0.209 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 -6.050 -11.555 -2.677 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 6.704 -7.033 4.184 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 -0.970 -1.747 0.026 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 -10.053 -8.101 27.408 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 -3.416 4.959 -0.259 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 1.936 2.446 -1.466 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 18.328 1.274 12.648 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 19.423 -24.099 30.287 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 -1.136 -3.191 -2.910 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 -3.116 1.990 -1.715 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 -12.862 -19.113 -11.599 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 0.206 1.600 2.086 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 9.962 14.165 -4.655 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 0.738 37.346 7.488 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 -0.773 3.032 0.397 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 -22.115 1.861 -8.264 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 9.030 8.753 -6.185 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 -0.243 -2.460 1.988 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 -7.324 -1.470 -10.386 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 -3.098 -10.866 9.638 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 -3.843 2.506 -0.339 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 0.795 9.092 12.788 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 0.207 13.017 -13.758 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 -1.075 4.177 0.307 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 -5.060 17.836 2.092 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 3.728 -3.078 20.699 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 5.995 -3.284 4.314 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 8.455 -16.889 7.111 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 -10.029 -2.784 -9.417 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 1.498 -3.295 5.295 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 2.411 -9.427 4.185 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 1.433 -2.231 3.012 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 -5.204 4.386 -1.821 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 -8.179 7.929 0.763 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 -8.644 16.172 3.359 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 -0.240 5.471 0.798 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 -5.491 -8.527 2.579 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 -12.664 -13.908 4.874 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 -0.187 9.810 3.867 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 -15.064 0.921 -28.907 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 -1.173 6.929 2.583 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 -1.119 -8.004 0.787 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 -22.830 -1.718 -8.129 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 -6.910 -7.926 -2.841 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 -2.892 -0.839 -4.119 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 9.180 -25.180 -14.314 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 7.298 -21.749 -40.383 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 -2.063 0.270 -2.160 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 -11.082 -12.986 -7.525 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 -9.924 5.274 1.322 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 6.875 3.263 0.490 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 4.479 23.568 3.340 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 1.751 7.758 -2.984 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 -0.867 1.438 1.006 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 -2.818 5.490 -0.075 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 -2.485 4.891 -0.015 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 2.429 0.449 7.493 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 5.590 23.326 15.684 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 0.177 -7.274 -15.462 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 -2.319 0.656 -0.530 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 -11.282 -34.959 2.600 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 -14.798 -4.786 15.697 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 -0.956 3.170 7.130 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 5.751 17.698 12.995 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 -12.487 -9.653 8.414 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 -0.104 -2.271 -3.229 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 9.729 5.432 10.732 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 8.012 6.415 2.389 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 4.495 1.183 7.169 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 9.210 -0.652 -2.121 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 6.235 6.253 2.019 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 2.009 0.365 -3.723 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 28.038 8.440 -8.253 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 -20.254 4.754 6.714 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 -5.495 1.131 -0.026 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 -1.893 9.336 -1.607 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 -16.042 -12.777 -15.728 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 3.940 1.682 5.156 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 -1.109 22.992 -16.682 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 9.717 -3.392 -16.835 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 9.093 0.310 1.790 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 -0.411 -22.648 -16.735 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 9.849 -1.550 -22.715 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 -2.608 -2.232 -4.276 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 1.365 -9.136 5.782 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 1.846 -12.029 -8.813 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 5.855 0.851 -3.119 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 13.141 22.190 -0.859 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 -6.757 4.545 11.800 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 4.822 1.497 6.437 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 2.301 -12.547 14.554 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 9.374 16.136 6.175 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 -0.137 -1.042 -1.371 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 10.353 4.289 -7.402 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 -3.341 -34.543 13.344 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 -1.953 -0.281 -2.213 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 6.615 -3.470 -24.296 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 9.113 -14.159 10.383 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 -4.721 0.823 2.029 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 11.821 -6.725 15.010 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 -5.012 -12.247 1.160 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 3.013 7.737 -4.249 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 6.329 5.783 7.671 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 1.479 8.903 -15.175 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 -2.779 1.355 1.131 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 -6.076 -6.291 -6.423 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 12.615 -21.649 -15.949 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 0.575 -3.787 -0.056 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 -4.142 -30.651 14.309 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 5.113 18.058 22.193 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 0.114 -3.698 -0.714 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 -15.677 -8.511 10.691 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 2.170 15.881 -9.314 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 -0.477 2.117 2.415 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 7.808 -4.191 21.394 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 -12.619 -1.723 4.800 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 0.257 3.020 4.812 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 3.654 27.471 5.832 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 -17.606 11.546 6.821 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 0.959 -0.713 -6.404 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 -8.165 2.580 -7.934 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 5.482 1.718 -12.809 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 1.617 0.498 -0.548 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 0.741 23.098 -24.852 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 -15.377 -7.451 -0.973 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 -3.715 1.702 0.262 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 8.168 -8.152 -8.330 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 -14.818 6.146 -9.821 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 -0.203 -3.815 3.303 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 -16.083 19.193 17.301 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 17.553 0.329 -22.354 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 0.905 10.792 3.195 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 -9.031 10.547 -24.309 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 18.583 -7.516 22.747 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 -0.304 2.296 -2.026 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 1.004 8.660 -0.191 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 2.131 13.727 17.851 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 3.086 -1.725 2.309 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 6.061 -7.025 -5.365 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 -9.773 5.371 -20.457 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 1.826 -5.751 0.604 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 -0.015 0.693 9.224 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 -10.753 -13.199 -16.784 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 -5.088 2.525 -0.047 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 -11.934 -17.958 6.617 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 4.633 0.122 -34.033 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 -3.342 1.350 0.976 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 -5.317 -2.426 24.152 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 -1.096 27.166 -2.751 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 5.534 1.982 -6.407 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 6.913 -1.302 -15.122 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 4.037 -0.542 4.945 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 -0.638 -0.365 -1.934 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 5.920 3.893 -7.539 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 20.884 -0.816 20.052 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 1.680 -2.053 -2.929 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 -35.170 20.447 14.819 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 13.844 -10.031 -7.767 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 6.767 -1.040 -6.720 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 -13.847 10.641 4.386 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 -3.181 -13.764 -11.064 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 4.743 -6.905 2.775 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 11.072 11.154 13.512 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 12.189 -0.668 -18.871 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 4.715 2.853 1.377 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 -12.423 -5.705 -17.858 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 17.583 -1.081 -11.913 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 2.170 -2.619 -1.786 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 -3.953 0.779 -12.862 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 3.724 -8.753 -4.314 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 8.688 5.387 -1.243 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 3.038 -14.919 -16.380 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 32.034 -16.799 -15.435 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 0.666 -3.451 -3.405 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 -11.438 -1.324 -2.650 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 -7.056 9.372 3.213 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 -3.156 4.698 1.689 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 -7.086 6.318 -8.544 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 6.501 1.670 -2.945 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 1.929 2.214 -2.412 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 18.832 17.615 3.240 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 10.517 5.993 -3.166 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 -4.274 -3.045 -1.537 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 -1.418 14.725 6.732 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 8.742 -5.888 -13.425 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 -3.806 -1.211 6.191 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 -9.723 -11.674 -13.207 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 -0.787 -10.997 2.233 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 1.620 -11.208 3.448 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 -14.117 7.961 15.075 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 -18.122 -2.706 -5.799 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 -2.173 2.272 2.733 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 -2.418 -3.580 -2.663 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 8.152 -7.255 -19.493 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 0.867 -4.112 2.471 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 -9.997 -12.448 17.666 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 -11.068 -32.141 -8.994 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 3.026 1.857 0.680 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 7.590 16.350 3.832 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 19.951 11.914 -6.194 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 -3.744 5.944 4.818 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 -6.303 18.382 -13.665 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 -7.005 8.279 6.571 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 -6.680 1.788 -0.261 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 -2.052 9.143 -12.195 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 -0.709 2.072 -4.355 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 2.515 -2.714 3.668 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 -13.232 -20.486 -7.226 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 0.960 -1.188 18.469 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 3.812 -2.748 -6.262 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 -1.599 -15.782 1.419 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 -7.266 8.830 -6.534 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 4.838 -1.044 -5.583 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 -3.317 -6.073 -6.674 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 -29.796 -16.810 1.130 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 1.304 2.547 -0.971 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 13.230 -2.565 4.096 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 20.581 -10.740 13.918 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 -3.638 5.258 -0.987 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 -19.147 3.987 27.325 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 12.670 -14.053 2.149 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 2.092 -2.449 -0.377 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 4.877 11.459 -4.312 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 -6.215 -2.737 15.557 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 -6.481 -0.511 -7.298 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 -31.356 -5.321 -8.133 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 1.595 6.438 -21.575 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 -4.262 0.949 -0.291 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 -2.693 11.597 -2.862 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 2.322 7.755 -5.684 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 5.437 -2.185 -0.717 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 12.876 -4.068 -5.892 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 13.293 5.691 -3.427 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 2.397 -2.217 -1.388 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 -1.507 -12.551 1.864 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 11.391 -2.196 -5.089 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 1.568 4.454 -4.017 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 -2.354 -4.885 6.009 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 11.054 22.176 5.578 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 -6.625 -6.077 -2.109 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 0.117 10.071 -17.786 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 -6.542 -20.804 17.675 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 -6.911 -0.004 0.503 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 -5.221 2.565 2.771 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 -4.438 0.586 -5.746 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 -3.831 0.942 -0.449 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 2.719 -3.076 2.433 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 -2.021 14.117 2.463 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 -2.877 -5.921 -10.076 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 -0.995 -12.714 -3.757 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 -4.799 -14.362 3.455 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 -3.483 -6.235 5.329 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 8.442 16.138 4.461 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 8.105 17.316 4.928 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 -1.672 -1.131 4.237 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 -1.056 -0.844 -0.004 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 -8.908 4.717 -2.703 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 6.803 -3.239 0.086 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 -9.795 5.992 3.168 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 -1.940 -23.089 -7.822 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 -3.645 4.938 3.505 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 3.397 24.120 9.728 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 -13.009 -0.622 -12.006 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 -2.548 -4.493 7.078 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 -7.878 -9.099 -3.549 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 -0.872 24.711 2.649 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 -1.605 -1.239 0.676 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 -5.983 3.682 11.318 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 8.554 -11.728 -4.645 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 2.585 -4.522 3.161 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 -3.378 -7.248 -4.863 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 -4.984 -15.232 5.722 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 2.799 1.973 2.978 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 -10.800 2.686 11.186 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 -14.290 -1.089 9.025 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 -8.473 -0.212 1.329 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 -26.934 -19.856 -2.753 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 -6.119 -5.324 4.136 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 -0.833 2.282 1.925 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 11.833 -1.539 -7.778 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 26.603 9.356 -13.871 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 -4.889 0.743 -4.100 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 10.815 3.899 -3.291 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 5.462 8.821 -36.642 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 -5.294 2.035 -3.681 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 2.871 -4.141 43.850 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 14.142 1.433 -10.184 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 -2.105 3.778 -1.162 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 -5.253 -1.448 -9.742 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 7.741 1.964 -3.342 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 -4.226 1.008 1.692 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 -6.572 4.484 1.997 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 -6.236 10.685 6.422 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 -3.037 -1.409 3.822 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 -19.900 -14.192 8.028 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 11.245 6.554 0.292 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 -0.281 3.282 -2.506 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 7.291 3.916 2.156 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 -10.241 26.644 -5.770 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 7.171 -3.605 -0.749 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 5.374 3.164 2.376 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 16.638 -5.869 -4.293 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 -3.778 6.586 -2.578 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 -22.606 -16.334 -12.464 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 -0.357 21.179 -13.217 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 -1.532 -7.323 0.708 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 -2.569 -32.221 -3.743 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 -7.740 14.002 -1.557 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 -8.087 -6.529 6.748 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 3.553 -12.840 -12.656 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 19.885 -4.505 27.323 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 -5.304 1.845 4.736 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 -31.246 -1.885 -23.921 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 -2.949 2.518 7.002 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 -6.605 -0.251 3.302 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 -3.393 5.742 16.166 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 6.714 5.929 12.676 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 -3.355 1.370 9.807 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 0.881 8.098 -6.402 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 1.578 -6.828 13.941 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 0.713 -3.852 0.343 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 -3.179 -2.379 7.766 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 0.447 1.874 -3.983 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 3.770 -3.277 -1.494 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 -24.482 14.367 32.628 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 -1.342 -0.253 6.127 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 2.297 -2.589 1.208 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 -14.635 -11.159 -2.582 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 8.338 -10.516 1.991 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 6.638 -0.145 -5.585 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 0.935 -11.624 14.266 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 7.707 -1.327 -7.865 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 -0.463 0.887 1.261 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 -14.207 -0.131 -6.247 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 -1.657 14.766 8.621 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 0.631 -6.755 -1.507 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 3.698 2.788 0.054 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 -14.521 7.426 -0.348 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 -0.255 -6.158 9.834 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 1.362 -5.339 -7.113 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 -3.575 -3.517 -9.997 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 -1.552 2.715 -2.461 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 8.696 -28.548 17.744 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 -16.031 12.592 11.751 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 -1.775 0.694 1.677 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 -26.461 1.197 6.334 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 -9.679 3.933 13.512 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 -0.355 3.201 2.588 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 1.944 -5.739 -8.910 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 10.761 14.025 13.412 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 -3.528 7.330 1.897 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 -18.600 -11.027 -2.677 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 -0.173 -17.620 -8.348 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 -3.394 -3.473 4.053 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 -2.751 1.576 -0.032 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 -14.319 -1.725 21.692 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 3.961 1.230 0.831 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 7.849 -5.462 -4.108 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 -4.665 7.182 7.292 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 3.239 -1.274 -6.740 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 4.038 -19.767 -12.471 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 -2.383 -13.611 8.497 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 -5.108 -3.643 -3.132 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 2.072 -6.005 -13.351 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 -8.592 -24.619 16.024 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 -2.947 -1.847 -6.042 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 2.369 4.026 -18.104 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 -2.474 5.015 1.002 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 -1.803 -3.248 -3.179 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 -2.918 -8.772 5.299 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 -11.677 -1.208 -18.872 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 -1.008 4.654 -0.345 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 18.042 7.648 -5.199 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 8.566 5.660 -7.701 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 0.292 -4.690 0.272 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 -12.723 16.685 11.057 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 10.964 5.057 -21.895 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 2.884 -1.894 -0.038 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 8.156 -9.502 11.624 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 -20.941 -6.180 -20.724 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 2.292 -2.490 2.104 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 5.536 -17.047 3.942 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 0.474 22.838 -12.716 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 0.268 -1.778 -1.634 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 -11.870 -22.056 0.990 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 -20.586 -28.239 -4.038 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 2.893 4.236 -0.522 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 4.047 22.831 -7.767 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 -1.265 8.142 -2.451 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 -1.777 8.462 6.215 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 17.076 38.960 4.303 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 -2.489 11.465 1.800 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 -1.414 -7.993 4.106 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 0.357 -11.515 -2.101 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 -6.675 -4.850 -8.517 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 6.229 -2.929 0.623 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 -1.893 25.854 -24.993 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 2.364 -2.246 -2.920 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 -5.161 -3.800 0.989 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 -7.615 7.202 -2.267 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 -2.376 -21.633 6.482 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 5.676 -5.966 -12.790 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 2.009 -2.878 -15.262 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 -11.056 -16.147 -13.951 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 -4.725 3.327 -4.287 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 28.202 -1.284 31.582 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 -6.759 14.152 8.595 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 1.929 -0.420 4.998 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 -1.207 1.119 11.167 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 3.440 -4.837 3.204 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 5.165 3.308 -0.335 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 0.231 -3.693 5.999 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 1.873 -7.116 4.589 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 0.234 -0.143 10.715 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 -1.054 -4.770 21.103 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 -11.171 -15.545 -8.025 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 -2.542 -10.841 -5.811 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 -2.777 -8.276 -2.985 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 -0.969 -18.957 -5.501 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 -1.900 0.667 -0.510 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 -1.127 8.374 -3.749 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 -7.467 -2.442 -11.141 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 5.539 -1.553 -6.850 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 -13.129 6.751 -12.030 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 8.619 -3.092 -5.088 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 -0.990 2.909 -8.893 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 -1.587 1.043 -4.426 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 2.863 -1.045 -9.670 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 -1.412 -5.453 4.764 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 1.369 -2.391 6.695 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 4.791 -2.580 9.577 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 1.528 7.130 -1.896 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 -1.761 11.014 -3.757 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 2.756 7.074 1.193 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 -5.496 0.648 3.246 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 -0.593 5.714 8.902 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 -12.986 1.452 15.109 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 0.566 6.485 -0.305 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 6.871 16.402 -6.166 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 9.124 2.222 -0.626 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 -3.972 2.148 -1.133 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 6.342 6.301 7.516 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 -2.824 2.407 0.757 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 4.275 -6.463 1.121 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 -12.339 -13.409 -5.717 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 1.350 -6.632 -9.632 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 -0.633 1.014 1.898 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 -2.277 -16.507 -1.649 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 4.409 -4.919 -6.742 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 -2.656 -5.259 4.892 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 -5.795 -17.145 6.579 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 -25.997 17.482 -3.321 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 3.661 -2.161 4.414 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 5.917 5.781 17.384 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 9.393 10.592 14.272 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 -3.327 -2.303 6.267 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 -14.892 -9.864 3.504 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 -11.072 -0.923 2.982 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 2.961 -6.502 2.120 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 0.691 -9.543 0.769 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 -3.892 -0.869 5.349 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 4.175 3.457 -2.824 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 -0.815 7.705 -12.068 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 -1.553 -11.742 22.156 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 -1.970 3.344 -4.113 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 9.914 -19.446 -9.742 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 15.654 7.242 -5.481 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 1.902 -1.462 0.148 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 5.430 15.037 12.334 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 3.087 -1.133 -11.088 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 -2.082 -4.489 0.340 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 -1.913 11.287 12.578 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 8.234 -18.322 9.698 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 -2.814 -9.889 -7.924 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 -1.574 -28.233 -7.590 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 -1.790 -3.066 -3.929 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 -2.506 4.334 -0.603 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 -11.233 6.323 -14.238 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 12.375 1.426 23.970 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 4.037 0.035 4.565 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 -17.516 1.289 13.639 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 1.757 0.045 -19.602 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 3.964 -3.908 -5.352 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 3.889 -14.218 -6.928 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 -6.714 -8.614 -5.543 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 3.446 -3.596 2.692 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 -6.677 -0.671 -17.919 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 -1.035 -7.685 5.875 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 4.576 1.883 0.372 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 17.163 2.358 -6.873 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 -7.957 6.335 9.215 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 -4.370 -0.525 2.239 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 -3.376 14.227 -24.836 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 -5.417 -3.233 5.194 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 -2.096 -1.346 -3.703 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 -1.977 -1.903 -4.108 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 21.169 -17.520 -6.857 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 2.095 7.314 -5.035 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 5.840 5.369 1.332 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 1.495 1.069 -9.448 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 -3.837 -1.809 3.735 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 19.800 -2.926 -4.596 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 -3.994 -28.094 -3.627 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 -3.561 2.819 -1.975 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 -6.787 2.920 -18.106 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 6.192 17.031 -6.107 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 0.012 3.862 -0.701 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 0.327 1.151 9.439 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 -0.161 17.613 5.162 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 -1.277 -2.049 -2.418 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 9.781 -4.885 -17.265 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 -8.273 -3.531 22.939 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 1.706 4.353 1.892 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 12.153 -20.030 -2.608 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 -13.515 16.082 -15.539 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 0.037 3.216 -2.530 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 15.150 9.693 8.880 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 6.701 -14.246 -9.499 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 -7.728 6.630 -2.072 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 -10.236 13.373 9.362 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 -7.293 2.053 -6.678 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 -3.800 -1.702 -6.393 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 -13.156 10.413 -17.669 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 -9.386 8.635 5.669 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 3.108 4.235 1.601 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 8.072 25.781 -17.791 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 -0.817 19.993 26.401 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 6.556 6.782 -2.616 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 -2.259 9.011 -28.871 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 -9.115 15.284 9.122 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 -2.501 -3.975 0.379 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 -15.184 27.980 -8.948 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 10.897 -25.932 6.603 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 -1.639 7.707 -1.575 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 -2.417 6.452 -1.390 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 0.544 4.379 25.800 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 -2.074 -0.217 -3.328 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 13.384 3.879 -20.468 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 -12.775 13.630 -7.212 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 3.833 -3.184 1.987 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 2.477 1.098 -5.106 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 -2.534 -9.087 6.893 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 2.718 5.044 2.206 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 -2.281 -1.237 -0.827 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 -4.261 -1.640 -1.952 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 -4.368 -0.623 2.336 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 -3.787 -1.334 1.083 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 -6.254 -10.426 -11.701 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 -2.068 0.013 -4.326 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 1.137 6.431 6.865 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 12.667 3.904 -22.928 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 -3.391 2.929 8.764 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 2.163 -11.345 15.884 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 -4.454 0.545 6.325 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 -0.082 -1.636 -0.852 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 -13.474 -20.607 21.514 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 0.269 -9.621 1.203 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 -0.833 -3.710 -1.152 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 6.451 10.610 17.480 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 17.570 -20.799 -3.028 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 0.796 2.287 1.687 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 -15.147 -9.387 -6.805 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 -5.445 -3.532 41.292 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 6.246 -3.009 5.847 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 2.710 11.785 3.497 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 6.228 4.110 9.055 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 -1.535 1.222 -1.618 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 -5.284 -5.241 16.987 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 3.336 -9.630 -12.826 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 1.075 7.023 -1.982 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 11.415 -6.623 16.385 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 -9.677 -15.161 -1.905 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 12.517 4.398 -2.351 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 -5.294 -18.498 13.332 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 12.742 10.749 -16.048 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 -1.882 -6.479 1.625 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 0.637 15.684 5.201 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 5.263 -11.947 -2.959 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 -1.526 4.209 3.097 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 4.775 -19.454 -5.245 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 6.031 -14.378 1.707 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 5.125 1.532 0.606 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 -11.460 -12.592 -15.529 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 -10.163 -0.705 13.439 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 -1.866 -0.384 -1.857 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 -22.200 8.280 -7.015 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 8.688 -7.232 -7.753 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 1.960 5.973 2.675 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 -0.587 3.659 1.456 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 0.830 7.583 6.151 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 6.193 -10.234 -3.379 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 0.127 -20.049 -10.121 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 12.377 2.321 4.840 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 5.779 -0.552 -1.360 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 6.757 5.960 15.775 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 4.401 -16.252 1.740 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 1.163 -3.648 -3.848 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 9.306 -9.481 -20.469 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 -13.589 31.258 -14.281 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 -4.283 0.377 1.321 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 14.829 2.500 4.227 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 -1.002 -6.891 -0.344 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 -4.015 -1.358 0.320 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 13.129 -12.682 -10.197 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 1.964 -2.436 -5.074 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 1.050 0.439 -3.596 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 -1.649 12.664 -13.982 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 11.766 6.326 -9.792 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 5.951 -4.195 -1.249 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 20.865 -16.342 -43.858 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 18.597 -6.827 -15.071 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 -4.459 -3.388 3.007 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 -11.202 9.800 -7.437 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 -3.965 -28.851 5.868 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 -1.150 3.014 -6.632 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 9.914 -9.012 25.104 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 -19.145 5.290 -11.685 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 -0.853 3.108 0.229 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 18.269 5.119 11.649 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 -13.657 -9.313 -5.156 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 2.155 1.073 -3.091 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 0.953 34.242 -22.566 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 1.966 -20.216 14.634 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 -4.496 2.090 3.029 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 -16.579 -0.068 3.950 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 -21.852 11.834 6.873 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 -1.543 -0.661 -0.425 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 -23.204 5.458 -8.316 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 -14.221 -11.482 -1.092 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 -3.803 -10.104 -1.380 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 -2.070 -16.812 4.771 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 -2.794 -7.138 -11.903 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 -5.134 -6.850 3.776 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 20.439 -2.662 6.298 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 -27.743 13.851 -2.896 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 -1.840 -1.848 -1.973 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 -4.597 -1.294 4.770 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 1.622 -3.639 -1.772 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 4.481 5.507 -3.205 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 -11.270 -9.740 7.601 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 -6.494 21.761 -6.510 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 -0.333 0.901 -2.784 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 6.672 19.608 5.042 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 -11.914 2.635 18.815 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 -0.859 3.565 1.263 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 -17.739 -9.230 16.302 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 1.084 25.828 2.430 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 0.878 -5.655 1.984 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 -13.575 -7.859 -6.783 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 17.622 1.536 22.924 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 1.640 -5.026 -3.431 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 -11.990 -0.376 -13.003 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 -0.916 -24.311 -2.026 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 -4.200 3.380 -3.958 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 -9.622 -9.977 -2.042 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 -8.197 -6.644 -0.893 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 -0.258 1.709 0.645 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 -9.242 13.217 -2.156 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 -7.440 -12.296 2.068 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 5.083 -3.449 -2.447 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 1.181 -8.858 -5.685 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 4.023 -10.129 5.256 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 -0.878 0.707 2.411 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 19.981 1.736 3.947 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 19.719 -21.806 -10.809 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 5.608 3.607 3.661 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 6.131 25.480 18.085 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 -17.128 -9.300 14.839 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 -2.115 6.009 4.996 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 -8.223 5.118 2.461 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 0.578 16.608 10.148 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 -3.377 4.362 0.807 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 -14.538 -3.718 2.637 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 -12.515 10.223 -6.771 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 -0.799 -2.551 0.511 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 0.099 -8.048 11.792 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 10.758 -21.061 27.418 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 -2.514 8.709 -1.156 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 22.599 6.333 6.608 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 -14.267 11.665 0.001 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 -0.353 0.584 -6.267 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 -0.186 13.773 -16.209 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 -1.556 -7.574 -1.152 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 -1.289 5.378 0.822 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 23.749 9.788 2.830 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 -5.369 -3.157 21.718 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 -1.565 -5.104 3.166 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 1.321 -3.946 15.290 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 -2.624 8.702 -4.074 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 2.079 -3.995 -2.748 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 8.704 -6.573 -14.687 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 -17.481 -1.485 17.903 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 4.882 -1.896 0.459 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 -14.222 -1.795 14.525 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 -16.473 -3.297 -0.812 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 -1.634 -6.876 -4.740 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 1.592 -14.533 6.014 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 -5.894 -6.642 -22.873 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 1.843 -0.748 3.218 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 -6.048 7.425 1.453 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 1.792 -0.138 4.108 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 10.211 5.482 -2.841 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 -2.293 -6.801 -3.150 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 13.954 10.467 -1.878 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 4.634 -5.359 4.390 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 5.325 10.071 -4.658 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 6.086 -9.202 7.774 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 5.203 -3.494 -1.412 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 12.002 -6.177 -11.351 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 4.118 -2.364 1.515 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 0.069 6.411 -0.125 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 -6.457 5.105 1.092 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 13.931 -10.491 1.725 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 2.304 1.185 -1.329 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 12.156 -5.158 -19.390 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 -19.474 21.394 -0.523 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 -3.267 4.647 2.101 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 0.445 2.935 -8.556 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 -3.041 -1.837 -9.030 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 -2.604 -6.143 5.337 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 -16.124 -5.198 17.870 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 9.551 9.819 9.172 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 1.304 -0.066 0.958 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 -9.230 -14.631 15.402 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 0.464 9.276 9.088 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 2.288 9.061 5.237 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 14.464 16.105 -2.484 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 9.021 -2.053 6.528 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 0.789 0.676 -6.315 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 -12.713 8.537 28.993 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 -2.971 20.452 -3.520 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 0.960 2.116 0.105 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 -5.032 -7.322 13.874 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 14.282 9.880 5.680 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 -12.016 1.823 -0.084 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 25.947 -15.272 5.774 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 -31.258 -13.165 -5.292 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 3.616 -1.451 -5.580 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 -1.051 3.953 -0.594 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 12.878 2.454 4.820 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 3.846 3.120 0.962 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 -4.015 20.700 -0.164 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 -5.102 -2.493 1.820 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 2.013 0.030 8.941 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 -14.371 2.622 11.219 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 4.825 -5.409 20.846 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 -1.287 4.823 4.175 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 9.436 4.069 6.940 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 -3.951 8.202 -11.372 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 -2.895 -1.779 -2.362 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 -20.405 -1.424 -0.572 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 -6.341 -10.771 -19.743 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 -1.949 0.026 2.660 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 -2.638 8.766 -9.249 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 7.208 24.381 -12.954 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 1.413 -0.967 5.405 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 -0.191 -3.438 6.914 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 -1.262 -18.090 11.836 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 3.365 3.286 -1.580 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 1.839 5.368 12.442 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 -9.808 12.503 -17.046 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 -3.252 -3.970 5.102 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 -4.924 -3.286 13.569 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 0.012 -11.133 4.121 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 2.493 3.566 -7.380 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 -18.905 3.951 -5.251 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 21.758 -1.638 5.907 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 0.516 1.876 5.575 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 8.796 1.788 -4.337 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 16.555 12.255 14.781 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 -2.819 3.964 4.526 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 21.690 -18.468 -6.688 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 -9.207 0.710 23.482 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 -2.171 -2.419 1.910 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 5.251 -34.147 -3.808 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 -20.669 5.433 -8.437 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 1.428 -7.431 5.999 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 11.807 -0.737 -4.751 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 5.780 -28.643 6.670 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 7.612 -6.018 1.735 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 -4.684 -18.406 -10.638 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 3.635 -8.113 9.370 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 1.235 1.510 8.866 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 1.289 20.810 7.318 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 -0.960 2.153 11.338 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 7.571 -3.132 -8.535 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 2.525 -1.100 -25.064 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 11.580 12.813 -9.826 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 -5.567 -0.004 -1.479 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 -6.359 -20.894 -11.778 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 -3.382 42.499 -0.437 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 4.131 -1.871 -2.246 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 -13.099 -34.615 6.685 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 -1.007 -12.659 2.620 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 -0.431 5.077 -1.946 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 22.122 -22.972 -13.300 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 -3.117 5.876 6.568 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 -1.822 5.424 4.456 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 22.149 7.027 -1.128 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 -4.811 8.666 5.033 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 1.049 2.072 -1.604 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 11.095 5.221 -14.394 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 27.490 -0.065 0.935 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 -2.074 -5.614 3.289 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 -3.395 -1.836 -0.591 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 0.993 -8.476 7.047 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 -3.953 -1.997 2.473 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 15.246 -1.153 10.013 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 -4.670 -15.498 39.025 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 0.455 -6.485 4.423 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 -19.519 2.676 12.449 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 -7.827 9.394 -1.862 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 -1.961 2.272 -4.187 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 -0.556 10.539 -4.321 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 6.355 -9.411 7.875 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 -4.298 3.263 8.802 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 0.075 8.369 19.697 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 -0.919 -15.167 -4.568 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 -0.402 -4.986 0.271 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 -3.801 7.969 21.944 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 7.449 0.339 9.822 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 6.138 0.105 1.055 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 24.624 -6.238 -4.449 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 9.616 7.942 -3.034 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 2.783 -0.584 1.217 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 3.498 0.334 9.670 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 -8.237 -4.615 3.009 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 2.577 4.499 -1.215 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 17.300 -6.573 18.414 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 -9.071 -17.385 -5.712 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 -1.519 -0.112 -1.504 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 8.560 -13.240 -2.736 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 -2.165 1.106 -2.476 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 1.576 -2.559 0.888 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 -1.261 -11.924 6.153 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 -10.310 -21.359 -6.140 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 -0.621 -5.200 0.747 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 5.842 -24.111 -1.409 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 -3.592 26.648 4.401 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 -1.156 2.538 4.567 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 -15.338 -7.562 25.947 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 24.558 -7.278 15.113 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 -3.401 -0.661 1.492 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 -2.751 -3.755 -2.046 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 -21.231 -16.811 1.932 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 0.988 5.604 0.671 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 4.692 2.810 40.840 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 -4.335 -16.462 -15.092 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 -7.606 -0.192 0.094 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 0.144 -5.893 -5.264 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 -16.243 13.391 -18.561 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 2.116 -7.330 -2.172 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 -16.393 -11.463 -13.526 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 10.780 -1.859 7.889 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 -1.419 -4.974 4.142 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 -20.104 10.381 -3.825 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 -5.735 -0.543 2.937 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 -2.603 1.793 -0.707 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 2.510 -4.683 10.322 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 -8.664 8.112 -14.804 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 2.140 -2.575 -0.889 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 -13.352 5.161 -1.150 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 -23.041 16.231 8.179 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 -2.022 2.957 -2.090 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 10.778 -1.174 -3.895 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 -5.451 3.006 -0.452 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 4.486 -3.617 2.612 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 4.876 -11.401 -2.611 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 3.629 1.295 5.430 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 4.589 2.773 -5.384 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 -0.967 26.260 1.465 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 12.286 36.774 -6.565 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 -1.965 -0.010 -0.807 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 -3.285 1.264 -4.239 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 -15.776 0.111 -21.549 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 -6.766 1.692 -5.592 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 -8.039 11.456 -3.000 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 -15.295 -0.846 -10.021 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 5.146 -1.230 -2.360 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 -21.445 -0.754 -3.655 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 -7.667 12.390 -17.827 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 -0.969 -0.210 -6.194 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 -8.474 7.451 -0.492 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 3.715 0.963 -1.684 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 4.719 -2.859 4.873 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 8.737 -6.951 -2.671 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 5.487 -2.210 4.424 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 -4.042 3.888 3.141 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 -3.019 11.708 3.047 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 2.806 -3.153 -3.329 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 -2.100 -4.073 0.636 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 5.212 -2.992 1.288 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 -4.048 -21.840 -8.264 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 2.541 -3.936 -1.935 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 27.901 -26.052 -15.918 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 8.684 -14.373 -19.036 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 -2.662 -0.990 2.984 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 -8.280 -21.420 -0.205 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 -26.192 9.777 -3.987 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 -0.679 -0.815 -0.683 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 8.244 10.914 -3.913 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 19.202 -7.540 16.488 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 -3.879 -2.672 5.613 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 -5.818 4.014 -8.773 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 -2.936 7.279 11.338 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 3.548 -0.808 1.986 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 6.611 -5.002 5.436 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 4.756 0.294 1.177 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 7.460 -3.734 -3.744 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 17.668 8.061 6.250 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 -21.703 -13.388 -5.058 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 6.315 -2.054 -1.399 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 8.416 -1.420 2.608 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 1.788 -2.162 -7.738 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 -2.086 -2.527 -0.155 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 -4.117 3.754 0.012 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 2.343 -3.760 9.115 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 5.275 1.564 -10.014 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 5.196 39.725 20.012 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 13.985 5.776 12.129 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 -5.701 -8.347 0.378 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 -17.046 -8.621 2.839 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 -7.847 -4.958 0.244 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 0.080 -4.431 0.458 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 -3.358 -2.763 8.236 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 13.333 -3.843 10.019 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 -1.640 -1.833 1.982 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 3.991 -13.056 11.832 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 -15.658 8.839 8.417 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 -5.449 3.179 -10.328 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 15.330 -2.694 2.077 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 -18.349 -1.288 -19.559 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 -13.617 3.335 4.453 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 -24.397 1.950 -1.722 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 -18.802 15.003 5.594 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 0.085 6.649 -3.111 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 -15.628 1.474 -4.808 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 25.857 23.454 -1.951 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 -5.075 2.602 4.354 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 -29.656 10.262 18.222 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 -0.380 -27.619 1.602 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 -6.098 2.508 -3.537 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 1.853 11.518 0.598 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 -19.294 1.889 -6.403 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 0.788 3.999 -2.821 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 -5.706 16.812 -16.405 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 9.375 -8.672 -5.829 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 9.727 3.787 5.619 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 -10.191 -3.259 3.931 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 -7.342 -3.657 20.489 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 3.955 -9.810 2.777 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 4.515 4.015 13.181 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 -9.770 -0.402 5.522 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 1.478 -1.750 -0.433 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 5.525 -10.511 18.356 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 10.791 6.718 -19.717 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 1.692 -4.880 -0.722 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 -18.367 2.143 2.487 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 7.360 9.918 16.590 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 -5.813 1.220 0.059 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 4.632 -3.051 -0.591 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 13.615 -1.974 8.256 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 -0.806 0.592 -1.238 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 15.001 -4.234 0.280 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 5.605 39.236 31.160 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 5.511 1.839 6.335 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 6.004 1.762 4.049 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 11.045 3.064 7.560 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 -0.644 7.949 4.324 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 22.007 16.913 1.091 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 -14.588 3.432 -1.104 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 0.546 -5.230 3.533 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 1.252 -12.379 17.224 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 -8.449 -0.691 19.683 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 0.134 2.868 0.578 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 10.458 17.314 -5.188 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 -0.720 -3.460 -3.197 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 6.853 0.531 6.175 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 -10.064 24.180 5.822 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 15.310 -15.923 -4.982 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 0.511 -1.068 -0.413 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 -1.385 -4.599 -23.118 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 -7.232 -1.475 -16.559 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 3.700 6.379 1.922 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 1.456 9.844 10.836 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 -2.439 -2.313 1.876 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 -1.525 -2.004 0.899 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 0.108 -2.455 3.314 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 10.259 14.437 -7.250 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 6.733 -6.708 3.790 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 -5.183 -12.117 2.545 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 20.314 -5.710 3.023 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 0.075 2.986 3.051 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 1.937 11.308 11.772 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 -8.505 1.573 5.370 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 -3.471 -0.172 5.674 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 13.220 -24.233 7.851 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 20.790 -45.190 -13.898 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 -1.368 4.570 -2.782 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 -8.831 -9.982 6.777 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 -16.553 -1.412 4.924 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 -0.451 -0.745 -3.750 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 -3.926 2.421 1.433 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 -0.845 9.449 -7.185 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 0.404 0.587 -1.506 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 -3.500 -2.458 2.697 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 -4.467 0.229 -1.189 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 0.653 -1.139 1.124 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 -6.801 -4.389 0.670 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 4.028 6.305 4.207 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 -4.379 5.051 -1.066 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 -27.832 12.974 0.550 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 34.281 7.307 7.553 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 -4.560 -1.480 -4.848 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 -28.090 -7.881 5.436 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 14.011 7.674 -22.362 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 -1.355 -4.088 -6.071 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 34.698 8.335 7.866 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 -0.883 -15.215 14.621 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 1.350 -7.890 -2.616 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 -15.498 -15.790 -17.614 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 2.461 -1.395 19.959 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 4.868 3.070 4.356 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 1.849 -5.145 -0.154 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 -4.740 -2.931 -1.645 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 2.222 0.354 -0.234 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 -0.431 -3.902 -15.674 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 15.815 -14.085 13.561 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 -0.373 -5.829 -0.591 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 -2.173 -2.120 -2.302 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 10.085 -15.077 -2.097 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 -3.132 7.741 6.255 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 -10.099 1.431 -18.885 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 -3.298 -20.385 -22.410 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 -4.101 0.664 7.811 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 0.316 13.229 -4.399 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 -2.014 36.008 3.409 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 -5.237 -2.989 -2.646 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 -9.855 -5.530 -6.929 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 -12.801 0.196 1.567 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 0.599 -6.683 -3.412 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 -19.495 -0.048 1.676 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 9.447 -9.626 -11.092 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 -2.362 0.432 2.992 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 5.557 8.162 8.264 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 13.744 -10.828 -26.586 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 4.253 2.116 0.531 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 -1.243 2.406 -2.179 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 18.713 1.898 6.684 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 2.848 -1.964 -1.612 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 -0.119 -0.880 -7.339 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 10.483 -22.455 15.738 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 1.777 -6.694 -4.774 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 -3.050 -11.078 -1.784 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 -0.498 -8.546 -2.617 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 1.374 3.772 7.588 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 6.497 7.101 10.194 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 1.854 6.588 2.203 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 5.574 -0.999 4.109 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 -15.833 4.386 5.839 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 -11.835 -1.429 15.227 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 -8.028 0.374 4.409 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 -0.275 0.982 -14.237 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 1.645 -14.184 -8.698 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 7.782 -4.518 1.856 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 17.305 20.870 -7.465 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 -8.858 -3.138 15.406 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 2.173 -4.294 -3.376 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 -19.399 -23.417 22.595 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 -2.660 -10.189 -12.268 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 -7.413 6.044 -2.132 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 -6.957 -2.650 2.351 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 -17.498 0.410 -8.512 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 -4.249 -1.336 2.476 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 2.653 6.405 -7.941 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 -15.423 -0.341 5.553 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 4.168 -2.468 5.455 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 -22.549 1.171 1.445 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 18.599 -5.928 -4.302 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 5.053 -1.341 -0.847 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 4.307 -0.227 9.435 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 18.749 -4.014 5.049 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 9.112 0.328 4.206 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 2.688 1.135 12.732 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 3.389 9.841 0.463 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 0.557 1.032 -5.355 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 30.833 -22.300 19.685 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 -14.164 4.564 -8.748 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 -1.360 -4.721 -2.138 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 12.616 -11.956 18.906 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 -26.157 -16.565 -4.638 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 -0.431 -10.846 4.191 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 10.388 -5.750 -21.246 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 -1.148 -10.262 -2.370 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 -7.302 -1.125 9.125 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 -12.758 17.088 -0.419 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 9.645 -6.173 -1.845 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 1.574 0.093 -0.935 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 -11.430 5.694 8.815 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 5.060 1.082 6.953 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 -0.942 -1.361 -2.218 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 -11.618 -22.775 -24.839 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 -2.461 -22.279 -19.681 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 -0.104 3.080 -1.904 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 0.676 5.928 -5.218 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 11.051 17.575 2.273 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 1.987 -1.043 -5.875 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 0.847 3.780 -11.649 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 2.810 -12.450 5.493 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 -0.505 2.115 -4.776 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 -10.485 1.991 0.320 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 -8.526 12.447 -0.925 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 1.591 0.853 7.836 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 9.662 3.048 10.982 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 6.743 10.489 9.715 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 -3.384 1.688 2.306 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 -28.948 -0.287 7.366 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 -21.534 0.790 7.993 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 -0.221 6.506 -2.505 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 30.481 -17.587 -14.028 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 5.625 5.253 -13.132 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 -2.595 -1.191 2.036 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 15.840 3.493 14.949 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 -3.988 -8.249 -1.761 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 -4.513 -5.994 -6.403 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 10.141 3.383 -10.250 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 -12.644 -14.533 -0.264 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 0.505 6.043 0.812 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 1.688 5.932 -1.934 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 0.810 2.674 6.109 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 -3.769 -1.869 -2.305 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 -10.073 2.813 18.011 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 -31.807 11.620 -10.700 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 1.051 0.527 -3.214 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 -25.666 -2.802 -38.801 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 -3.483 13.067 -1.598 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 -2.025 3.180 3.230 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 2.094 1.963 0.030 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 -13.807 8.022 2.766 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 1.589 5.933 -0.369 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 -3.191 7.429 5.599 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 6.446 5.869 -6.387 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 -6.256 -4.710 1.911 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 -18.252 -23.459 -12.248 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 18.734 0.379 7.055 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 -5.872 4.574 7.095 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 13.692 -16.384 -1.886 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 10.809 19.814 16.501 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 0.750 -1.029 7.563 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 -12.187 -23.765 8.807 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 -7.947 13.995 3.545 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 -0.530 -3.406 2.186 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 20.212 -2.130 0.370 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 6.223 10.005 16.485 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 0.623 -4.959 5.343 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 -17.477 -10.157 19.851 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 5.001 6.036 -0.161 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 -6.666 3.233 1.100 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 -13.407 10.593 -8.883 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 6.407 -8.664 14.780 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 -3.438 -1.372 -4.801 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 2.103 5.221 -1.991 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 18.878 15.231 -30.092 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 -3.030 -1.118 0.842 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 8.994 0.682 23.566 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 17.801 0.974 -1.793 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 2.543 2.129 0.910 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 -1.108 -2.543 -13.122 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 8.510 5.497 14.533 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 2.962 -2.104 2.294 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 6.911 -22.908 0.204 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 10.292 0.349 -21.755 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 2.173 -5.890 2.811 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 -10.235 0.494 -1.896 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 -4.767 9.695 -7.351 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 0.893 -8.089 -1.588 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 23.156 -8.058 -14.101 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 4.560 -10.564 11.535 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 3.304 2.900 -3.650 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 -6.918 -8.105 9.896 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 9.549 1.381 -7.659 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 -4.855 6.585 -5.286 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 -7.472 -3.078 -10.687 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 -0.247 12.062 -12.885 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 2.847 -3.173 5.463 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 3.518 -36.357 -1.267 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 12.646 -9.963 3.738 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 -11.487 1.026 3.428 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 -4.164 -1.763 5.533 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 -16.032 -1.875 2.979 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 1.112 -1.899 -5.172 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 18.355 -2.716 -2.402 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 -6.568 11.021 -10.125 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 5.188 4.169 1.345 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 5.813 21.322 8.511 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 5.492 -8.024 4.356 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 1.132 -3.089 0.872 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 -11.452 -22.251 10.571 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 30.286 10.985 9.182 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 -3.451 -2.569 0.605 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 -1.000 -1.470 -1.121 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 15.830 -1.906 -18.559 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 -6.237 -2.891 6.154 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 3.073 2.570 -7.345 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 -2.138 2.617 10.346 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 0.390 3.976 0.069 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 -6.556 21.386 25.088 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 15.066 -1.634 -20.449 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 -2.908 3.789 -0.144 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 9.015 20.345 6.648 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 -11.157 17.715 24.520 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 0.453 2.407 0.702 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 8.362 7.403 -3.981 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 -4.724 -1.895 -6.485 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 0.881 4.789 3.518 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 13.170 5.792 18.682 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 -8.979 -11.430 -8.334 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 4.645 -3.180 1.185 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 26.634 5.139 -2.889 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 12.021 -2.722 -12.728 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 -0.701 -3.219 3.479 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 -3.090 -15.816 3.675 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 6.232 -15.852 12.190 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 -1.722 -0.452 5.186 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 3.318 7.245 20.974 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 0.240 2.832 3.471 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 3.153 -1.015 5.046 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 -40.650 -14.809 10.718 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 2.769 36.909 11.582 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 3.954 5.138 -0.016 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 14.177 6.995 -5.451 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 4.583 -4.143 4.189 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 -2.732 -0.396 1.220 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 -17.918 36.392 -17.216 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 1.111 5.175 2.205 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 3.276 -3.176 0.827 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 16.413 -17.787 -3.220 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 -5.056 -9.143 -12.454 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 -6.368 -1.528 9.453 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 -10.937 -12.695 -29.948 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 33.603 -19.713 -5.342 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 6.421 -5.569 -2.016 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 10.485 4.171 2.187 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 7.580 14.824 16.849 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 2.036 -2.834 -5.115 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 -10.275 7.009 7.512 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 7.065 22.385 2.736 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 2.146 6.393 -3.079 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 37.898 0.429 -4.769 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 0.248 -14.478 -27.224 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 3.068 -1.318 -1.069 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 1.263 -3.369 -7.625 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 3.635 -10.486 -5.433 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 -0.162 -4.288 -0.819 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 1.394 0.611 -6.483 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 -16.142 -20.979 -15.704 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 4.963 1.932 -0.014 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 -6.904 7.662 -3.451 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 13.788 -5.614 0.841 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 -6.028 -0.558 -1.158 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 -35.391 -11.231 9.234 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 4.359 -3.018 2.466 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 -1.468 3.523 -0.736 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 2.984 -2.228 13.229 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 -1.368 6.992 -2.111 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 -6.979 0.413 2.879 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 -0.659 2.015 -0.428 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 10.037 -1.350 -8.791 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 -1.890 -5.530 8.529 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 9.781 -6.831 2.174 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 -8.861 3.412 -2.098 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 -4.406 -4.508 -11.658 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 -7.578 0.358 6.288 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 -24.514 -14.317 -10.134 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 -2.560 -1.193 1.158 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 -2.605 -3.106 0.718 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 3.611 -4.545 -7.372 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 -4.465 -3.209 -3.370 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 -4.510 10.840 -8.505 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 -17.871 1.406 -4.942 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 5.629 0.911 0.008 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 4.290 -19.853 -25.934 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 -9.699 -1.851 -16.590 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 3.561 -2.062 -5.953 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 -13.411 16.713 3.849 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 -13.868 -15.141 -4.685 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 1.047 3.649 -0.902 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 5.342 12.581 32.170 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 -0.892 0.840 -10.653 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 7.670 -3.632 -2.041 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 7.295 17.645 -10.527 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 9.434 -4.300 18.669 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 -5.435 -2.862 -4.032 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 -8.845 -16.673 7.935 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 -5.119 11.836 -6.774 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 0.026 -0.715 -3.238 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 -10.361 -9.622 -7.917 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 6.748 4.933 -0.991 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 0.510 -1.641 -0.102 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 3.867 -5.714 3.311 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 -22.008 4.287 -12.240 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 -0.562 3.296 3.345 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 24.410 10.885 7.464 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 -0.178 12.393 21.523 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 4.227 1.576 2.395 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 -2.652 -5.563 -13.403 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 2.834 -16.532 14.201 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 0.514 2.817 -4.774 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 7.474 11.586 -4.777 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 -9.580 -8.468 -12.182 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 -3.080 -0.497 -4.021 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 10.244 -1.150 -12.225 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 -0.971 4.753 2.956 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 -2.465 -5.109 0.072 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 17.452 -32.630 -5.908 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 -28.531 -9.767 11.276 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 2.919 6.124 2.966 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 14.513 5.932 -8.058 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 0.168 6.278 1.724 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 3.143 0.976 -4.774 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 -25.689 6.353 -9.177 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 9.179 13.164 21.106 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 3.440 -3.755 3.235 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 -15.247 0.408 -13.808 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 17.207 -19.956 2.700 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 1.405 4.229 4.178 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 -1.115 1.101 2.761 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 2.463 4.129 11.617 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 -1.478 -4.912 -2.222 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 0.051 -0.856 -0.457 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 9.989 7.325 -13.358 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 -2.451 0.220 0.992 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 -14.466 12.149 -2.305 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 24.981 -13.068 -6.163 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 -2.967 0.377 -6.467 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 -3.556 -3.451 -6.191 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 -9.238 -14.675 -12.997 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 -0.115 2.999 -4.141 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 -24.092 -1.581 1.229 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 15.991 13.271 12.008 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 1.580 -4.365 2.248 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 13.885 3.782 -7.391 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 16.052 20.499 2.770 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 2.195 3.243 3.146 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 2.977 1.568 -0.865 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 3.808 5.005 6.576 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 -1.462 4.019 -1.333 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 -0.806 2.741 -3.004 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 -1.556 20.188 -9.795 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 -0.846 15.065 -1.854 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 -3.931 14.850 13.409 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 -4.075 3.152 -14.675 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 -5.948 0.845 5.204 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 3.559 2.930 5.765 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 -9.911 -2.572 11.074 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 -6.069 4.755 -0.411 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 -5.112 24.625 3.091 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 -18.092 5.343 19.369 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 1.727 3.802 -2.261 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 8.131 -9.930 -11.309 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 4.753 -4.685 -5.889 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 -0.826 -6.834 7.524 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 -9.073 -23.792 0.548 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 22.212 -0.830 -0.425 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 7.008 0.179 -2.589 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 14.749 -7.711 -8.004 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 9.752 0.942 4.863 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 -2.852 -0.570 -2.476 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 -7.456 8.787 -5.157 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 -4.690 -2.324 2.919 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 1.519 2.947 0.574 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 19.432 5.848 -19.908 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 0.723 -0.819 23.269 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 -1.149 -3.406 1.190 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 -12.160 3.962 -7.696 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 23.793 15.441 -15.961 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 -1.945 -2.610 6.880 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 6.246 -16.705 0.409 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 -3.416 23.349 5.580 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 6.027 -2.156 -1.948 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 -4.699 -0.834 15.071 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 1.328 -2.277 21.322 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 2.040 -5.595 5.444 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 -4.825 3.925 -0.182 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 -0.781 -3.241 7.534 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 2.111 -0.491 -0.273 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 26.547 13.029 -6.800 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 -6.758 10.605 5.302 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 -1.287 -6.913 4.628 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 -3.871 -0.924 0.870 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 -7.529 -8.945 9.252 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 -4.186 3.618 0.870 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 4.909 -18.499 -10.595 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 6.116 -9.770 11.021 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 3.344 -1.332 6.768 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 17.357 -0.602 3.643 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 -10.002 7.068 -13.141 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 -3.157 -1.159 -1.991 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 4.263 18.773 -6.621 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 -12.348 -42.203 16.815 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 -0.853 -2.166 1.915 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 13.811 -2.201 -2.354 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 -3.626 -5.430 -12.973 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 0.506 -0.905 -6.405 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 -11.052 4.822 -13.312 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 0.159 3.126 -10.316 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 -0.750 0.340 6.883 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 3.575 19.157 -6.961 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 9.479 4.255 12.810 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 4.512 2.530 2.503 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 5.092 3.807 4.706 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 6.518 -1.197 -2.031 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 -4.779 -3.912 3.444 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 -6.492 -3.076 2.617 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 -2.542 -2.588 2.477 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 -3.857 2.623 -2.087 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 -9.333 -0.706 -4.257 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 18.945 3.726 14.624 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 -5.425 8.082 -4.257 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 -12.981 15.012 11.269 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 1.459 14.104 -10.450 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 -0.623 1.265 0.026 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 -26.786 42.156 -8.046 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 8.218 -8.990 6.608 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 -1.325 -0.548 -1.030 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 -16.447 5.800 -6.079 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 18.724 -9.004 24.028 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 3.015 -2.485 -5.422 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 11.317 8.833 7.354 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 14.956 -1.057 15.343 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 -0.039 4.135 -4.040 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 2.469 3.717 -5.171 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 -2.862 -0.241 3.165 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 5.360 -4.584 2.737 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 5.845 -4.413 3.984 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 3.924 -4.658 2.343 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 -3.145 0.146 -2.707 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 -9.508 8.605 -29.434 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 3.167 11.341 0.641 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 1.171 0.665 2.659 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 8.502 5.266 16.870 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 -9.144 12.092 -0.132 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 6.609 4.608 4.461 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 -0.589 35.819 -9.040 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 6.486 2.010 -24.347 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 -0.750 -0.982 0.019 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 -11.515 -5.917 14.721 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 -7.913 -14.042 2.577 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 -2.269 5.389 -5.623 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 13.694 7.284 10.950 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 12.732 -0.009 11.527 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 -1.158 5.720 -0.215 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 8.659 -13.697 12.433 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 3.178 9.246 6.428 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 7.990 4.210 3.803 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 0.845 -4.072 13.919 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 25.450 7.126 4.933 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 5.903 -3.380 -0.568 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 0.804 -7.450 6.742 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 15.665 1.290 11.450 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 -7.342 2.605 -1.675 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 17.754 19.398 12.792 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 3.414 -5.773 30.479 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 -0.864 -1.563 -0.663 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 -1.881 -5.925 10.813 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 -7.425 2.491 9.441 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 3.308 0.681 6.356 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 -1.169 -4.380 -0.009 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 -3.901 -7.936 -8.364 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 -0.469 -3.287 2.724 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 -1.971 10.204 20.682 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 5.030 -23.693 10.837 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 3.640 -0.113 5.983 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 -15.346 -12.935 0.715 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 2.356 14.743 2.264 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 -0.864 2.939 1.518 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 0.746 9.842 -2.501 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 -1.612 4.473 2.990 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 0.847 0.360 7.970 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 22.902 -26.675 2.823 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 -4.679 -8.384 6.728 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 -5.462 0.583 -10.166 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 -2.009 -13.079 -5.786 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 8.085 4.705 4.428 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 3.934 -3.680 -5.272 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 -6.884 3.964 -1.218 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 -22.307 14.571 3.942 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 -1.427 -2.866 0.467 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 1.171 -0.778 3.588 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 7.754 5.676 -10.604 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 2.770 -2.173 -1.771 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 0.889 -4.859 -5.298 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 -19.099 34.687 -8.907 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 1.142 -2.698 -0.930 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 15.911 -15.624 -0.687 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 13.797 -7.216 1.616 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 1.013 -1.972 6.874 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 -4.465 3.833 15.134 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 8.931 9.794 2.463 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 -3.010 4.476 -1.733 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 3.774 22.358 -8.464 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 -14.287 -9.233 -1.935 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 1.734 -4.124 -2.880 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 -2.681 -1.256 9.184 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 -6.665 -2.096 -8.814 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 0.258 6.286 3.070 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 -0.597 -30.617 -6.980 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 -0.153 19.807 17.272 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 -0.165 0.585 -3.234 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 3.740 4.458 6.392 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 0.831 -9.951 -11.900 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 -1.117 6.360 1.364 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 -13.677 12.068 -29.080 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 -27.176 5.901 -15.293 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 -2.831 3.997 5.638 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 25.104 19.943 -3.880 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 15.545 18.453 19.611 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 0.530 0.980 -0.909 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 8.760 -3.898 3.263 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 3.835 1.199 -2.239 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 2.296 0.350 3.008 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 -33.458 -24.664 12.146 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 11.180 24.590 -10.579 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 0.966 -6.131 0.525 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 -5.438 -7.332 0.186 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 1.845 0.937 4.580 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 6.702 -2.097 -3.135 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 1.480 -9.343 -9.170 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 3.787 -5.929 2.148 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 -1.209 -1.538 -0.872 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 -3.093 -0.029 1.152 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 -1.329 -0.905 -3.593 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 -4.516 -6.460 4.071 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 -1.790 -13.251 8.931 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 -4.570 2.358 -5.334 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 1.156 6.182 -2.705 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 11.628 -13.578 -18.723 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 5.542 9.274 8.354 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 4.122 1.806 3.685 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 28.375 19.552 -13.746 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 18.907 6.446 -6.396 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 -2.683 2.335 -2.299 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 3.550 2.658 0.989 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 3.991 4.303 5.832 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 -2.365 -0.433 -2.904 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 3.039 15.804 5.207 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 -16.420 -5.955 -7.342 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 0.468 -1.254 -0.696 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 35.138 -20.315 -1.402 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 -7.916 4.664 3.529 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 -0.175 1.809 -5.614 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 -3.393 5.835 8.121 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 12.232 7.377 -9.708 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 -3.887 5.757 6.666 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 -7.617 8.675 9.151 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 -6.337 2.322 2.340 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 0.108 -2.480 0.870 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 -1.080 0.027 9.592 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 -5.739 -15.931 7.729 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 -7.807 0.764 4.229 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 15.694 -13.817 -17.871 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 -18.277 3.396 4.144 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 3.252 -1.978 0.508 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 0.401 -14.108 -3.545 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 -0.049 3.664 -0.343 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 6.391 -1.205 -6.478 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 21.584 -6.440 -4.694 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 -8.447 -16.025 -5.071 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 1.454 -5.171 -7.710 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 3.311 11.680 1.922 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 -6.042 0.524 -0.516 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 7.200 3.990 4.934 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 9.890 -4.380 22.710 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 7.272 8.108 11.415 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 -6.152 1.894 6.570 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 -5.784 1.847 4.261 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 6.830 -4.837 8.123 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 -4.796 3.572 -3.981 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 -13.429 22.782 -6.880 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 -4.703 14.880 5.556 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 1.204 1.695 5.198 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 -8.403 -13.133 9.449 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 -10.657 14.914 1.186 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 0.260 1.028 -1.208 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 18.851 3.369 -7.581 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 2.032 -17.249 7.179 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 -1.600 0.355 0.225 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 -41.142 1.055 17.555 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 -20.731 11.490 6.626 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 -1.997 -2.742 -7.442 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 -12.197 8.455 -15.020 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 -2.430 2.035 9.673 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 2.505 -2.758 1.846 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 -13.228 -4.340 16.224 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 15.856 -3.757 25.679 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 -0.546 -0.962 -0.149 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 -10.814 -13.433 15.666 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 -0.650 0.964 -11.357 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 -3.137 5.862 -2.454 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 -8.840 -5.591 -7.817 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 24.111 7.413 10.689 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 -2.137 6.380 -2.872 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 -4.382 14.663 4.568 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 -21.499 14.352 -1.277 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 -2.820 -6.160 -5.035 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 -6.294 -13.918 8.358 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 -2.749 -6.366 -7.511 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 7.754 1.935 1.884 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 5.509 3.986 3.654 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 8.641 1.162 1.006 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 -7.558 4.992 -6.655 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 -27.700 10.919 14.100 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 -30.276 5.285 2.817 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 1.730 -2.165 0.094 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 6.610 -24.764 9.531 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 -1.094 -8.045 7.458 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 -8.684 -1.990 -1.743 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 -26.813 -33.281 2.574 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 -3.468 6.608 -5.836 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 -0.645 -0.327 4.190 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 -42.676 -9.782 -16.141 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 11.191 -1.039 9.988 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 -1.524 -0.853 -2.477 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 -0.653 8.161 16.148 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 -17.269 8.815 -1.040 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 -8.111 0.275 0.967 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 0.796 17.163 15.244 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 -18.034 -21.591 -16.009 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 1.548 3.198 3.531 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 20.019 3.965 5.003 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 -6.159 1.133 7.281 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 -0.913 6.582 -0.714 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 16.987 -5.668 -9.346 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 -18.646 -5.345 -10.817 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 0.530 -6.196 -2.340 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 -13.780 -11.218 2.376 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 7.798 -20.360 -4.369 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 -5.359 -3.827 -1.877 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 -6.227 0.010 7.131 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 4.680 19.945 1.063 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 3.705 -0.682 -4.674 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 -5.086 -3.720 7.420 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 -2.524 -3.231 5.807 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 -7.073 -5.109 -0.591 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 6.881 12.562 22.215 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 -5.903 -4.149 -3.030 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 0.835 -3.356 0.247 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 7.260 10.603 -4.266 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 -10.586 -0.705 -5.825 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 0.058 -1.276 0.074 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 -1.485 -11.816 -16.975 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 -15.740 0.058 -1.492 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 -6.365 -0.605 0.229 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 -2.253 -2.235 -0.482 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 -12.459 19.915 -5.794 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 -2.408 -5.039 -5.725 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 -9.902 -0.235 10.616 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 8.818 -10.762 -4.799 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 -4.992 2.366 1.008 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 -1.144 4.378 2.959 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 -4.619 7.685 10.588 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 5.470 -2.305 -2.629 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 -1.685 -6.547 8.851 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 -0.655 -0.084 0.564 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 2.344 -1.610 11.876 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 3.659 0.724 19.181 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 -3.307 -10.180 -12.365 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 -1.310 -4.171 -5.576 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 -8.454 17.417 0.936 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 -2.373 16.152 -4.345 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 0.813 -1.844 8.045 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 12.608 13.867 6.142 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 0.387 -13.384 39.769 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 1.873 -3.747 -0.370 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 3.059 23.389 -8.216 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 13.295 -7.572 -27.345 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 2.656 -3.500 1.416 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 11.504 16.313 -2.015 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 -0.131 11.801 2.474 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 -9.920 -5.852 -1.791 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 -7.812 4.457 -20.914 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 -12.067 -10.205 -3.934 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 8.284 -2.114 -6.259 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 18.631 -11.261 1.539 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 11.355 -15.543 -1.119 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 -1.579 -2.229 -8.908 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 8.454 -7.892 -6.513 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 -3.221 -2.297 -8.341 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 4.241 1.410 0.037 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 -14.060 -7.075 8.627 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 -7.187 0.898 -11.852 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 -4.942 -1.899 2.066 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 -5.175 -1.034 1.265 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 -6.783 -0.042 0.328 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 -2.706 -3.608 -0.341 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 13.539 6.774 3.239 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 -3.690 4.399 -28.627 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 -0.182 1.892 2.628 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 -14.307 20.550 24.086 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 11.378 -31.012 24.750 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 4.221 -0.347 -0.365 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 -0.447 -10.497 -4.964 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 10.016 -6.732 2.216 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 -2.106 -0.262 -1.456 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 4.107 14.239 -5.526 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 -11.535 -7.985 -3.456 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 -2.218 -0.946 0.869 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 2.522 1.398 -5.931 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 9.343 22.015 -8.197 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 -1.223 3.693 0.046 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 -0.933 11.152 7.885 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 11.798 1.395 -5.327 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 1.969 -5.916 2.339 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 1.059 1.649 1.955 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 2.292 -7.487 5.089 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 4.114 2.826 -4.550 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 7.713 11.146 -20.534 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 6.042 -6.132 -0.414 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 6.399 -2.682 -1.109 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 10.336 -4.830 10.028 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 10.825 39.922 -0.920 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 2.678 -2.754 2.865 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 -9.319 1.176 -0.979 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 17.403 -12.448 -10.516 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 4.581 1.155 3.012 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 5.084 -4.908 -5.037 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 7.349 -2.161 12.218 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 -5.079 -2.572 2.773 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 0.467 9.048 -4.455 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 -9.595 2.345 17.548 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 1.772 3.899 -0.845 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 0.535 3.422 -0.520 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 -0.034 -0.167 -0.728 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 -6.256 -4.628 -3.776 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 -18.967 -28.757 8.665 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 -3.093 14.284 2.917 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 5.313 1.022 2.896 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 26.293 2.312 6.691 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 5.119 -7.030 10.534 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 -1.140 -2.481 -3.441 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 7.076 13.696 -1.489 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 3.266 -2.527 -9.886 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 3.107 -1.107 -2.479 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 10.045 -5.227 -5.606 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 11.540 -18.102 3.813 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 6.031 -5.106 2.105 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 -5.656 5.222 8.316 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 8.998 -7.432 0.319 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 -1.955 0.935 3.708 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 -7.938 21.875 -3.842 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 -3.011 -12.693 -15.333 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 0.337 -1.014 -7.325 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 9.343 -7.843 -12.235 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 -3.242 -1.198 9.502 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 4.121 -5.867 7.334 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 -2.203 -3.668 10.259 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 -0.237 -5.388 -9.115 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 -0.800 2.388 8.729 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 13.308 6.513 6.795 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 -4.265 10.536 -7.767 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 -6.513 -1.827 -0.882 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 -2.812 -0.256 0.764 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 -23.297 -10.548 -5.433 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 7.800 -3.163 -0.548 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 -24.757 18.676 15.060 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 10.954 4.296 8.928 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 0.762 -2.596 9.195 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 -23.454 4.353 -13.096 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 31.788 1.276 -9.880 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 -5.103 0.933 2.484 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 -6.471 -14.936 12.605 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 6.113 7.976 4.439 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 -5.479 -2.084 -0.096 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 -5.333 -1.193 -0.424 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 -18.578 0.716 7.709 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 -1.063 10.776 0.498 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 18.983 13.783 10.490 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 -14.461 12.730 11.432 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 1.007 -2.461 4.269 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 17.916 -5.960 -6.102 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 -18.419 -8.988 12.687 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 5.103 -5.168 -2.423 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 29.690 0.977 -6.615 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 9.822 -4.239 -10.474 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 -4.154 0.760 -4.331 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 18.194 15.635 -4.808 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 4.498 -12.659 1.658 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 1.597 -1.503 2.857 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 -2.828 9.085 -3.664 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 -18.597 -19.371 -9.930 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 -4.010 5.269 -1.490 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 -6.857 -4.394 -3.719 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 -9.275 0.791 -5.740 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 7.690 2.805 -0.547 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 1.630 -9.037 6.450 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 7.523 7.741 -0.493 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 3.798 -2.883 -0.211 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 -2.759 7.105 3.281 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 16.841 -18.981 -3.846 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 1.896 3.812 -0.161 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 -4.799 -9.959 10.800 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 16.702 18.757 -6.410 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 6.689 -7.050 -3.821 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 7.161 0.814 -4.285 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 -2.498 2.825 3.686 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 1.180 -3.946 -3.437 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 -5.454 -23.220 -9.653 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 7.899 -1.501 -19.067 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 -9.091 5.892 -1.819 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 17.157 -1.723 18.805 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 -10.363 -1.330 11.669 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 -3.728 -5.908 5.010 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 -7.803 -8.935 11.222 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 4.959 -4.053 -9.961 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 0.019 1.762 5.715 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 3.091 6.445 7.751 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 -5.386 -32.033 -30.354 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 1.760 -5.493 -6.130 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 19.575 -11.715 -2.567 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 -11.744 -16.074 -4.417 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 3.959 -3.996 0.284 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 3.093 3.334 -2.385 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 5.897 -2.982 -20.983 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 2.187 2.686 5.037 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 3.453 -2.003 2.348 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 3.329 4.216 -2.384 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 -4.446 3.399 -2.196 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 7.822 -11.802 2.595 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 -9.380 7.170 -4.547 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 -3.962 0.670 1.066 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 11.784 -16.647 -4.944 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 5.538 -0.203 -5.215 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 -4.172 -4.167 4.664 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 6.037 -8.708 3.474 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 -5.884 -7.012 16.999 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 -6.504 5.501 0.416 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 -18.554 -9.572 14.818 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 -20.010 10.073 -18.782 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 2.938 0.236 -2.610 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 5.109 -3.093 -1.083 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 4.914 -6.198 -32.477 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 -4.148 1.559 -2.855 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 6.743 7.561 -4.505 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 -7.047 -21.306 5.666 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 -2.031 -1.178 5.423 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 -3.690 -4.086 -3.168 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 -7.534 -9.982 14.343 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 -2.795 -3.683 2.028 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 5.586 -2.267 -8.357 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 -27.621 0.342 19.819 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 -2.627 1.286 3.526 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 0.248 1.213 1.075 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 6.643 17.986 8.032 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 -2.021 3.669 3.819 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 33.012 20.556 8.127 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 6.060 -11.387 -1.982 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 -1.752 4.801 -5.108 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 1.369 3.421 -15.115 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 -2.564 -16.723 6.927 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 4.350 -0.234 0.041 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 7.476 2.027 -21.277 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 11.786 -17.653 3.597 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 -3.712 1.488 2.916 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 0.776 -11.952 -13.778 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 14.201 0.569 13.430 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 3.225 -4.502 -1.682 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 16.863 -1.819 -10.736 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 -8.517 -10.583 -5.006 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 -3.085 -2.286 -1.980 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 -5.784 6.476 11.873 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 6.730 -14.893 -11.084 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 -0.684 5.424 5.812 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 13.552 -7.604 3.621 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 -5.921 7.588 -13.397 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 4.760 2.745 3.973 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 5.092 -2.982 6.327 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 7.683 -6.326 6.400 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 -5.389 -0.380 6.747 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 -13.344 -0.143 5.641 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 19.619 2.900 11.904 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 0.680 -1.323 5.975 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 -1.215 7.824 -7.517 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 -1.886 -10.606 -1.946 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 -0.734 -7.015 2.124 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 15.069 6.419 -3.212 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 -8.659 -14.706 5.751 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 -2.621 2.317 -1.879 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 10.497 12.233 8.927 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 -5.564 4.949 6.184 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 -3.700 6.680 2.681 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 5.150 4.085 -5.323 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 4.186 11.954 4.220 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 0.990 8.663 -2.245 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 1.476 8.427 -8.406 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 -6.667 0.990 -2.167 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 4.590 -6.455 10.167 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 5.125 0.636 -1.163 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 -0.392 -17.482 23.145 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 -7.953 -0.982 -4.160 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 3.196 -17.005 -22.899 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 10.670 -18.017 -12.872 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 4.540 4.551 -2.738 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 7.371 -16.543 -9.549 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 18.159 -1.714 0.019 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 -4.706 -0.183 0.993 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 13.711 -0.049 10.785 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 -0.906 2.266 -5.154 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 0.142 -5.649 -2.085 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 0.954 -0.027 17.226 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 -6.663 1.907 3.053 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 -1.241 -9.225 1.525 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 -6.210 6.594 -4.757 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 6.983 -11.863 -16.859 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 3.450 -0.676 7.442 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 4.649 -11.657 4.675 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 4.423 -3.253 16.550 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 -1.030 6.143 -0.608 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 8.056 11.513 -2.623 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 -14.237 1.507 -4.090 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 -0.829 2.037 -2.632 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 -23.459 17.717 -17.153 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 -1.300 -0.219 -19.408 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 2.131 2.062 8.076 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 -0.863 -1.311 8.219 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 8.664 1.182 7.163 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 -6.485 2.983 -6.304 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 -10.413 -8.231 -10.348 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 -13.992 -11.799 10.805 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 2.646 1.329 1.834 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 -6.570 1.056 1.953 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 5.578 0.183 11.020 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 -1.765 -0.941 -0.545 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 -13.773 -5.030 -0.792 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 1.561 11.075 2.930 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 -7.921 1.693 -0.922 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 7.552 -11.208 6.676 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 -7.169 1.664 -0.633 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 -1.811 -3.858 0.532 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 0.684 -6.318 14.601 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 8.143 5.147 17.802 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 6.191 -1.465 -1.392 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 2.210 -8.435 -0.522 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 11.872 -11.859 -7.772 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 1.651 -6.357 0.223 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 -8.572 -8.391 18.333 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 -13.511 -7.235 0.033 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 -5.545 -1.199 0.723 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 -5.575 24.196 2.648 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 3.743 25.080 -8.036 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 -3.587 -4.212 -3.281 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 7.389 1.377 -5.536 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 1.377 -14.801 -3.073 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 -4.123 -5.388 -4.380 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 11.626 -2.483 0.469 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 -10.677 -8.221 16.570 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 10.560 -3.722 -0.890 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 14.054 -13.172 -6.957 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 8.977 -6.357 8.507 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 7.415 -4.334 -0.504 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 12.552 -6.228 -8.455 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 -1.117 -1.897 6.598 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 -0.855 -2.720 -1.159 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 16.423 -0.829 -16.149 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 -10.924 -23.263 -16.045 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 2.122 -2.870 2.062 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 -6.807 -2.820 7.489 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 0.997 -7.803 -7.881 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 2.659 -0.233 2.714 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 17.396 7.044 4.053 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 -18.076 -12.480 7.017 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 0.492 1.264 -0.981 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 -4.742 2.308 -18.329 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 -28.614 0.832 -3.982 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 1.140 -3.418 1.671 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 4.124 2.066 -2.754 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 -5.218 2.943 -12.884 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 5.341 -0.078 3.134 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 1.133 16.643 -4.574 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 -4.462 10.659 14.698 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 5.770 3.637 -5.029 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 2.889 -14.883 -0.809 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 -11.319 -52.845 0.301 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 1.555 -8.276 2.156 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 4.786 10.177 -18.598 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 14.870 0.156 21.336 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 0.665 -1.464 -4.072 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 -7.396 -0.446 -3.756 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 1.464 7.145 2.225 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 0.109 -2.546 -2.909 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 15.522 -12.057 -4.397 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 -21.646 -13.064 13.553 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 1.528 -5.153 -3.740 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 1.587 -21.173 1.905 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 15.893 5.673 -9.194 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 2.491 3.553 -0.020 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 -3.306 -17.785 6.223 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 5.350 14.520 -3.190 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 -0.160 0.189 0.475 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 -4.069 -1.402 3.007 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 14.238 15.220 15.286 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 -4.519 5.989 -5.207 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 -2.108 7.676 0.884 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 -7.090 12.141 -7.048 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 6.498 -6.108 6.437 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 -3.138 -8.523 7.306 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 6.397 -12.784 2.923 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 -5.942 2.839 5.543 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 28.710 3.108 3.565 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 -13.255 12.256 -28.884 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 2.085 0.684 2.168 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 1.494 4.402 -1.124 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 6.014 19.300 -11.863 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 7.903 -4.750 1.240 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 16.955 -14.391 -2.907 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 9.432 -0.143 -13.517 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 -2.596 1.744 0.793 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 14.553 -1.145 3.423 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 -9.405 2.391 -4.077 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 -6.231 -6.083 1.128 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 1.169 14.932 -1.682 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 -18.329 -14.418 -8.665 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 -7.477 -6.618 8.321 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 -34.934 6.781 -7.887 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 6.865 2.914 -27.467 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 -0.887 -6.019 3.917 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 2.485 -1.893 3.487 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 10.387 -4.318 -11.921 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 3.181 2.205 0.126 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 4.295 1.990 0.922 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 -0.950 -0.329 4.011 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 -1.836 3.690 0.716 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 13.728 16.503 -0.948 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 4.784 -11.928 -9.893 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 -1.303 0.238 1.500 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 -2.573 -19.287 -24.764 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 14.379 7.550 -17.628 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 -6.378 0.975 -4.052 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 -3.708 1.093 4.193 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 -9.619 8.314 22.221 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 -2.432 1.212 -10.673 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 -1.262 5.904 7.502 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 -11.344 14.246 -15.232 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 -0.562 1.544 -0.761 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 11.903 -3.526 -8.081 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 -8.193 11.881 -11.895 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 -9.949 -1.459 -1.662 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 -18.664 2.072 -1.960 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 -7.993 -1.552 -2.090 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 2.684 -0.537 6.416 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 -40.843 0.543 25.943 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 -4.339 -23.063 0.199 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 6.211 0.831 7.586 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 8.788 -0.676 5.143 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 10.065 -9.654 16.444 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 -5.653 -2.242 -10.316 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 16.045 13.124 -11.537 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 3.954 6.388 -14.291 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 -1.513 12.228 -0.723 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 -6.066 14.143 6.670 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 -7.457 27.759 2.115 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 4.037 -2.092 0.227 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 -9.810 -20.540 -13.890 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 7.393 14.664 4.271 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 -2.217 -1.354 -0.256 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 5.114 -21.087 6.880 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 -12.259 -5.667 -20.458 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 -3.851 2.258 -0.075 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 -4.460 11.974 14.996 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 0.991 9.648 -17.361 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 0.384 0.753 -5.812 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 15.168 -0.651 -13.441 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 1.123 -12.814 11.127 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 1.353 5.336 -2.543 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 -18.882 -21.488 9.082 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 -0.535 -5.732 0.274 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 7.643 -1.384 -1.282 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 4.609 7.539 -3.055 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 6.408 -6.758 7.831 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 -2.462 2.026 -6.106 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 12.298 5.118 -22.589 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 -1.094 -0.121 -1.645 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 -2.922 1.323 6.180 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 -4.170 8.277 -6.636 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 29.100 -2.704 4.355 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 -1.398 1.713 2.164 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 26.448 -2.456 -6.216 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 -13.453 22.305 -11.395 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 1.010 -5.458 -0.339 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 11.562 -7.819 -9.129 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 4.187 4.105 20.143 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 1.952 3.466 -3.474 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 1.229 -3.758 4.011 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 -13.215 4.803 -2.153 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 -4.924 -4.708 1.473 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 11.864 1.271 -3.505 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 23.639 19.229 2.173 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 2.571 -6.510 -3.217 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 1.398 10.742 -13.302 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 15.054 -13.383 -3.831 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 8.703 -0.368 1.583 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 -0.283 -2.271 7.610 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 -19.396 -5.505 26.347 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 3.230 5.946 -3.080 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 -6.749 1.480 -10.457 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 -0.569 23.847 -20.115 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 2.838 3.691 4.105 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 7.869 -6.471 0.289 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 -1.809 5.415 -1.451 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 -4.086 3.126 5.500 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 0.447 3.972 5.631 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 13.091 0.058 10.951 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 -0.258 0.377 2.588 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 20.015 36.904 -15.777 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 15.393 -23.541 -11.184 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 -1.562 1.643 -5.490 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 0.766 -10.985 -10.095 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 13.030 -3.648 -16.077 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 6.252 -7.656 -0.145 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 2.153 -4.552 -9.163 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 7.034 -14.233 15.059 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 -1.644 2.118 -3.831 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 -0.798 -0.231 -1.733 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 14.637 -7.464 -7.494 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 -5.228 6.800 2.803 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 3.949 4.268 3.115 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 -15.288 19.808 28.562 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 6.960 -6.609 2.417 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 19.394 -7.438 2.705 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 -41.507 -1.435 -6.869 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 -7.717 6.206 -3.321 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 -12.537 -17.475 -15.885 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 -11.301 -23.877 -12.393 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 -5.836 0.778 -5.320 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 -2.655 8.452 -19.591 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 0.922 14.033 3.170 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 -4.963 -0.384 4.446 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 -4.041 0.520 8.740 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 -13.328 -0.342 2.974 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 2.067 -1.893 -1.843 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 31.499 -2.270 -3.204 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 18.468 16.901 -23.367 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 2.643 2.160 2.266 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 -3.233 -0.070 -1.116 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 7.376 -5.013 -4.551 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 -7.888 -2.451 2.004 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 13.421 -21.753 -3.483 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 2.534 24.471 -9.056 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 -4.744 5.386 0.372 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 14.372 1.115 19.499 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 -5.868 26.339 8.165 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 2.175 -3.145 0.957 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 2.079 -15.555 -18.263 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 1.795 8.707 18.574 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 2.663 7.343 -1.370 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 4.096 10.461 -2.332 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 12.573 25.360 -6.999 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 -4.434 -5.821 1.779 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 23.263 -19.005 18.498 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 -4.826 3.416 -28.676 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 -5.380 0.470 3.789 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 3.900 8.739 -12.544 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 -0.161 4.206 -0.430 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 3.239 3.744 -3.056 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 -3.195 7.109 1.801 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 2.492 -0.323 -9.699 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 4.458 -1.399 1.256 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 14.830 4.666 6.510 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 -20.762 -1.100 0.550 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 -3.124 -3.193 -1.344 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 1.810 -0.382 17.504 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 4.803 11.268 -14.492 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 7.151 4.562 5.765 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 17.254 -5.537 20.878 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 -7.518 10.341 -4.834 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 6.085 -3.323 0.671 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 5.068 -3.048 9.608 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 13.002 -2.768 -9.637 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 -2.600 -4.403 -3.398 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 -5.197 -13.057 -4.726 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 12.403 -22.013 4.305 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 -0.214 1.884 -0.508 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 -8.533 -10.286 -22.524 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 8.978 1.585 -0.314 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 -6.605 -0.324 -0.509 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 -16.721 4.951 -4.208 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 -3.231 -10.211 -25.429 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 4.805 2.421 -5.274 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 4.013 -13.450 -12.067 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 10.353 2.532 -3.690 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 3.458 1.757 -3.080 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 -0.887 0.783 -8.778 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 -1.262 9.047 4.199 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 -3.850 -1.437 -1.695 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 8.607 5.868 -18.334 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 9.862 0.952 10.195 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 -3.167 -1.103 -2.249 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 -4.410 -0.572 -1.336 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 -4.847 0.377 -2.545 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 -4.160 7.210 -7.386 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 -2.236 6.057 20.277 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 -27.819 -2.606 -13.904 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 0.893 0.431 5.535 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 1.773 6.358 13.136 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 6.749 -10.696 13.473 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 -5.612 2.269 -4.947 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 -3.820 -1.099 31.606 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 -2.101 -14.952 -14.995 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 5.201 0.583 2.054 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 20.084 -1.615 9.539 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 -13.080 -7.318 1.698 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 -1.672 0.397 1.645 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 21.946 -2.424 20.822 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 -16.669 -1.713 -11.523 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 5.358 -4.850 -0.946 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 -17.443 -0.408 9.677 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 -12.477 -17.262 -1.735 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 11.736 1.374 -1.963 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 12.912 -3.046 -6.566 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 14.130 1.698 -8.582 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 3.075 -2.496 -3.060 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 0.428 9.686 5.984 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 9.039 3.436 -7.122 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 -1.058 8.814 4.588 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 -4.038 10.164 2.038 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 -24.601 28.910 -20.742 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 -2.558 -4.290 -3.432 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 -15.720 -8.468 1.747 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 -5.078 -5.432 -15.975 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 0.201 -0.863 -1.718 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 23.766 32.891 -11.712 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 -0.041 -1.942 -3.720 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 4.388 11.416 7.639 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 8.204 17.836 12.748 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 13.517 -1.033 3.997 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 -4.501 -1.827 2.358 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 -9.071 -0.360 2.431 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 -18.791 1.270 2.808 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 -3.469 1.089 3.291 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 -7.855 20.020 -0.965 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 -1.367 -5.319 5.196 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 -0.295 6.738 -2.041 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 -17.101 10.282 14.127 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 -4.259 5.511 -9.822 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 -2.262 -0.463 -1.018 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 10.247 -0.539 -15.788 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 -16.672 -6.574 -4.530 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 4.586 4.112 -0.112 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 -9.357 8.045 2.696 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 7.176 0.127 21.838 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 -1.565 2.982 -0.919 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 -14.081 -18.649 -15.311 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 3.908 12.897 0.666 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 -0.980 6.207 -3.062 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 1.876 9.353 -15.360 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 -7.808 -24.744 -0.032 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 10.391 -0.733 3.372 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 12.422 -2.984 -15.635 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 -4.476 -3.399 3.994 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 -3.336 -2.943 -2.866 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 6.661 -0.072 -3.650 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 -17.520 -0.077 -30.020 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 9.020 0.686 1.584 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 17.652 9.921 4.426 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 13.040 -0.250 4.181 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 -0.429 -4.192 -3.330 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 -13.273 1.126 0.850 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 -11.583 5.456 13.323 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 3.215 9.227 0.100 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 -16.384 12.925 -10.530 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 6.346 -14.892 7.099 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 10.132 -9.125 4.720 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 -15.915 12.525 -4.168 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 5.130 2.134 2.281 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 -0.881 1.096 -4.270 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 0.113 12.047 -7.074 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 -6.180 2.637 -9.979 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 0.167 0.683 2.300 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 8.267 7.082 10.620 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 -10.710 8.313 -4.586 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 1.623 0.437 0.313 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 3.489 1.698 -9.863 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 -4.118 13.249 -10.271 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 -3.811 -1.079 0.611 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 13.113 -3.208 -1.585 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 12.929 -2.607 -9.038 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 4.116 0.701 -2.908 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 -9.597 -11.524 -18.706 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 4.406 -1.411 -4.050 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 3.536 -5.878 2.262 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 12.808 -18.325 9.209 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 -3.270 -11.155 4.678 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 -3.467 0.020 0.764 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 9.489 0.660 -27.103 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 12.927 -1.361 -2.659 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 -4.159 -2.891 0.024 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 -2.918 2.292 4.389 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 -9.707 -0.064 -7.610 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 1.509 -0.199 2.532 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 4.455 -9.627 8.095 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 1.901 -12.866 10.629 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 0.447 -5.098 -1.991 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 17.580 4.473 -0.514 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 -0.566 2.122 -26.198 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 5.657 0.885 -5.071 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 16.679 22.448 -9.331 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 -8.673 -6.426 13.633 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 2.491 2.686 2.766 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 -7.934 12.761 -5.843 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 25.363 0.948 10.151 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 2.853 -3.348 -8.361 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 -12.649 15.892 6.711 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 -12.160 12.379 1.522 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 2.410 4.947 -1.057 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 2.755 4.887 -1.972 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 3.527 4.794 2.924 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 8.677 -3.501 3.943 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 18.756 3.922 -3.078 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 6.985 4.655 -0.610 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 9.451 6.797 -4.611 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 16.166 0.736 15.366 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 17.703 1.782 3.466 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 1.642 1.599 3.261 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 25.551 -33.672 3.201 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 2.018 -17.417 2.356 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 -4.557 4.507 -7.781 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 5.164 -24.294 3.432 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 4.609 -23.370 8.266 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 4.141 -5.332 0.379 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 -1.737 -6.671 1.870 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 8.937 -10.709 3.313 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 -3.936 4.090 4.949 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 -5.434 6.795 -10.414 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 -12.352 -11.157 3.731 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 -0.884 4.942 -2.228 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 -9.651 -0.461 4.208 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 9.254 -9.165 -5.048 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 -3.705 -7.436 1.584 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 -2.630 4.194 -4.632 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 -12.003 -12.179 -2.398 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 -6.593 9.961 0.087 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 16.762 6.097 -2.250 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 -18.751 14.903 -0.777 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 -1.721 1.115 -4.144 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 0.811 -11.618 -31.884 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 -10.484 -15.956 17.982 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 -0.317 1.996 1.403 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 -3.979 3.457 1.400 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 -4.998 15.159 -11.459 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 0.558 3.980 1.158 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 8.622 9.724 1.594 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 -5.454 -0.973 -3.145 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 0.274 -5.396 3.142 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 0.873 11.540 7.785 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 -5.976 2.485 10.557 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 -10.502 -3.821 -1.069 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 -4.023 -16.677 1.390 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 18.702 -17.291 -4.200 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 1.412 -7.921 0.520 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 -7.940 0.073 -12.146 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 -14.467 2.703 -7.505 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 8.201 1.734 -0.732 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 -21.135 6.454 10.655 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 25.706 8.530 -1.477 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 3.019 5.937 3.672 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 2.825 -5.436 -5.324 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 -10.111 -1.147 20.145 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 -1.113 -3.982 5.845 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 -1.835 2.593 5.111 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 -9.915 15.132 -2.820 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 -0.056 -4.536 3.298 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 -29.212 -14.014 6.114 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 12.141 -13.006 -24.921 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 0.930 -2.676 0.410 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 -4.021 -1.420 18.003 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 3.541 -23.152 -0.543 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 -2.908 -5.726 -4.327 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 -24.058 6.160 -15.567 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 -26.243 -7.038 -0.297 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 0.159 0.724 -10.378 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 11.292 -22.664 -5.633 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 2.842 -2.975 -27.581 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 -2.028 4.763 -4.751 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 -2.460 -11.737 -11.044 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 21.652 16.536 3.035 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 -4.886 -0.055 0.713 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 18.758 1.832 5.612 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 -7.030 5.597 -32.441 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 -4.129 -1.640 -10.921 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 -4.723 -5.347 7.728 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 -19.497 -4.351 15.661 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 -4.394 -1.869 4.561 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 -12.398 -10.941 8.897 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 5.216 6.796 4.810 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 -2.489 0.415 2.014 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 -19.258 36.438 -6.249 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 12.782 23.652 14.884 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 2.069 8.773 -3.993 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 1.164 5.632 -5.462 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 4.884 5.077 5.687 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 3.670 5.262 5.379 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 19.789 12.727 21.540 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 15.253 1.932 -16.918 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 -1.095 -3.675 -4.245 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 1.834 -10.305 0.023 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 2.104 0.800 -2.813 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 3.308 -1.215 -0.584 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 20.055 -2.342 -14.888 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 -4.000 0.484 -11.227 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 -1.530 -5.960 -1.469 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 12.955 -11.289 17.981 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 -5.655 9.835 -11.729 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 1.648 1.277 1.131 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 -4.641 0.287 14.453 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 -4.168 4.691 1.679 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 2.117 -4.672 5.108 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 14.053 -6.654 11.682 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 -14.751 -5.657 11.717 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 1.575 8.123 -7.313 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 -1.315 4.271 2.321 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 -18.562 10.404 -1.213 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 -4.994 -1.770 -0.311 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 13.923 -3.120 9.512 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 5.341 -31.742 -2.513 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 -2.439 2.693 -5.836 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 13.239 14.261 7.010 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 -1.629 -23.018 10.930 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 -3.381 2.944 1.470 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 16.947 -10.697 -7.642 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 11.063 3.505 12.995 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 -1.236 3.479 2.642 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 4.194 -25.475 -14.049 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 -4.194 -8.687 -5.265 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 2.608 -1.485 1.680 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 -19.426 -20.228 11.407 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 20.248 10.372 3.530 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 8.125 9.733 -3.645 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 -1.885 2.037 11.746 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 -1.592 3.244 4.092 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 4.993 1.454 -7.502 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 6.488 -19.449 -0.855 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 32.413 9.459 -1.716 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 -6.896 -4.223 -0.204 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 -9.899 14.266 6.425 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 -4.451 -10.628 -4.164 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 3.443 -1.380 4.946 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 2.195 3.471 5.523 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 12.434 -9.699 -6.007 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 1.580 3.762 3.368 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 0.361 -1.230 3.060 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 1.329 2.702 3.913 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 -8.296 -1.319 6.260 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 -0.739 25.454 -20.094 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 11.802 -1.042 1.354 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 -1.112 -1.743 8.970 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 -17.933 -7.114 -0.823 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 -2.421 14.027 2.117 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 1.069 3.741 -1.295 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 8.496 10.915 -10.189 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 5.827 -25.347 -9.327 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 1.267 -8.247 -3.952 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 0.898 -10.202 -18.611 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 0.972 -7.715 0.199 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 -0.061 -0.413 0.553 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 0.943 2.311 4.150 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 -22.515 0.216 7.088 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 -4.721 -0.913 1.034 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 -23.046 20.114 6.399 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 8.112 19.754 12.030 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 -7.598 0.465 -4.976 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 9.626 6.065 -0.276 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 -23.943 29.065 16.232 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 -8.626 3.458 -1.453 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 -16.601 0.867 -2.790 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 9.472 12.738 -2.973 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 -3.466 2.590 3.596 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 -15.571 26.762 -33.443 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 -6.894 -3.037 8.628 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 1.330 -0.162 -1.474 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 0.124 4.978 0.194 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 -12.562 32.978 12.268 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 -2.778 -0.898 -0.709 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 -9.215 -3.305 6.926 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 -5.419 -1.765 5.266 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 -0.286 2.232 3.730 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 19.869 -1.549 16.845 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 -12.276 -3.953 -18.960 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 -5.858 -2.604 2.951 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 -7.100 20.236 3.145 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 -21.910 -3.414 16.645 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 2.377 0.293 -0.795 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 4.756 4.841 -23.412 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 2.025 4.554 -7.747 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 -4.293 1.774 -2.061 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 -7.188 9.946 3.642 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 -2.375 -4.655 -6.303 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 -2.115 -1.945 -3.412 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 -3.615 9.464 -8.048 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 -11.290 -9.989 6.092 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 5.240 -1.442 2.703 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 -3.452 0.866 9.164 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 12.807 -2.269 -3.930 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 0.955 3.561 -1.658 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 -9.476 -19.951 6.782 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 -2.121 -4.243 -8.226 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 5.736 -4.558 -4.643 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 6.041 -20.628 -18.566 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 -5.723 -2.085 6.426 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 2.759 -2.187 -1.259 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 -20.442 -3.304 -32.405 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 -51.228 11.287 8.358 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 -5.170 -1.206 -4.649 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 -9.128 -2.122 1.426 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 3.386 -1.416 2.029 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 -2.819 3.670 5.084 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 0.538 -7.166 -0.300 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 -1.468 -0.232 16.516 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 -0.708 4.191 -6.959 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 0.918 -4.701 -5.824 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 -0.401 3.609 -1.489 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 -5.182 0.413 2.310 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 5.445 3.826 0.264 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 -0.242 3.323 -1.368 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 0.978 4.714 -0.871 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 -2.048 2.856 5.360 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 1.492 1.025 0.653 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 -1.912 -2.615 -0.501 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 1.441 -1.275 3.166 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 -0.243 -8.363 0.247 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 0.191 3.655 1.802 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 -2.920 2.060 -2.634 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 1.488 0.529 7.188 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 -1.971 -2.803 -6.249 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 2.773 1.980 -0.394 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 -2.073 -2.047 -0.469 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 5.304 0.828 0.553 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 -3.344 -1.135 1.500 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 -3.425 -2.169 0.190 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 0.282 -5.646 -0.211 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 -2.571 -3.886 4.352 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 -5.111 2.814 -5.555 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 -2.236 -0.372 -1.782 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 8.017 -1.861 1.912 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 -1.777 2.128 3.794 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 4.100 1.560 -2.016 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 7.155 1.025 -5.176 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 -1.777 0.683 4.673 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 0.544 -0.346 1.910 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 0.905 -0.469 -0.258 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 -5.055 6.602 2.809 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 -2.882 -2.338 0.526 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 -2.796 3.970 2.879 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 -1.039 -0.927 -4.858 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 -1.170 -3.675 4.815 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 4.214 3.961 0.887 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 5.642 -3.130 7.045 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 -3.401 -1.242 -0.281 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 3.182 -2.280 0.421 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 -4.916 -8.014 -0.002 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 -0.945 -2.842 1.302 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 0.645 -0.426 3.681 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 -0.971 3.249 3.570 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 -8.619 -5.691 -5.454 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 -2.866 -7.151 1.692 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 2.378 -1.551 2.187 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 -4.804 -2.968 5.218 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 2.290 -3.621 0.781 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 1.954 -9.031 5.544 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 -0.417 -8.467 1.604 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 -2.330 3.392 1.669 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 0.817 -0.683 6.068 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 -0.427 3.031 -0.371 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 2.256 -4.039 -3.169 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 4.281 -4.273 2.207 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 -5.571 0.975 -3.666 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 -0.050 6.354 -2.108 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 -2.812 -0.123 0.940 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 0.395 -0.515 1.162 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 0.583 5.690 -2.253 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 1.367 1.489 -0.405 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 9.160 1.422 -1.527 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 4.073 -1.022 5.539 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 -3.951 0.053 1.793 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 0.507 1.651 -8.319 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 -5.700 2.317 -5.334 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 -1.256 -1.839 0.490 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 2.477 -2.509 -2.825 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 0.449 -1.100 0.868 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 -4.813 -6.562 -1.608 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 0.015 0.066 5.411 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 4.467 3.194 -0.434 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 -3.875 5.724 2.794 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 -2.716 3.289 4.947 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 3.109 -2.963 -0.924 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 2.150 -0.381 -0.829 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 -2.103 -8.081 -3.057 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 2.196 2.445 2.091 1.00 0.00 ION NA END